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DS_hdv6si8yu2mv_0
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VASP
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DFT-vdW-optB88
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unknown
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CO_3068312709754066814833845
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Er2Ge4Ni2
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ErGe2Ni
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A2BC
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data/MD/8442/MD_5730997671086041010298442.json
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PO_4275595897775739641039602
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| 2025-04-16T18:09:08
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DS_hdv6si8yu2mv_0
| 1
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VASP
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DFT-vdW-optB88
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[] | null | 0
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unknown
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CO_1132319684181941086018163
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CeSi5
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CeSi5
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A5B
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[
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data/MD/6422/MD_8361437096859737127706422.json
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data/MD/9921/MD_1009218329209655548839921.json
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DS_hdv6si8yu2mv_0
| 1
|
VASP
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DFT-vdW-optB88
| -171.89884
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[] |
[] | null | 4.3336
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unknown
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CO_6013832998978544949783850
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[
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true
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H12O12Tm4
|
H3O3Tm
|
A3B3C
|
[
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[
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8,
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8,
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8,
8,
8,
8,
8
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[
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0
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[
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data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/0687/MD_1208798303499955680320687.json
| null |
{"exfoliation_energy_per_atom": 0.06703472607142835, "material_id": "2dm-5721", "source_id": "mp-754355", "total_magnetization": 0.0, "hash": "12087983034999556803206874985823407575043644943007429393316189999332175926867468352526610209153919501116287861332960068296598587059177184276634495200267041", "id": "MD_1208798303499955680320687"}
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PO_4238777872580686420897516
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| 2025-04-16T17:57:27
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -15.380746
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[] |
[] | null | 1.6296
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unknown
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CO_1069472187837410901080531
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true
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Ga2Se2
|
GaSe
|
AB
|
[
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[
0.5,
0.5
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[
31,
31,
34,
34
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| 2
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[
0,
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0
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[
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data/MD/6422/MD_8361437096859737127706422.json
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data/MD/6973/MD_5565925379465378864126973.json
| null |
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PO_4240162298047754424784689
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| 2025-04-16T20:10:41
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -27.168299
|
[] |
[] | null | 2.8338
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unknown
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CO_1201775960137895129527521
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[
true,
true,
true
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H2Na2O2
|
HNaO
|
ABC
|
[
"H",
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[
0.3333333333333333,
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[
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1,
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[
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0
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[
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data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/6847/MD_2421741045469661585286847.json
| null |
{"exfoliation_energy_per_atom": 0.04234549000000021, "material_id": "2dm-5304", "source_id": "mp-626000", "total_magnetization": 0.0, "hash": "2421741045469661585286847926572017102380645040050971708575732296167340765901889369082439760396343020308865435448669907140511104871749241275576677746323803", "id": "MD_2421741045469661585286847"}
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PO_4240123165275289031629684
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4240123165275289031629684199801515969342878440569905791964416283110445579262310290202059610276543908618670212009471344035650745638936973531389613825800387
| 2025-04-16T21:17:28
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -16.394715
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[] |
[] | null | 0
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unknown
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CO_9496499632586147559640190
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9496499632586147559640190796334964786128046423948617120066755175640684315271184083757614496825974133021958929551538193155321407572317320098153129560553289
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[
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true,
true
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TaTe2
|
TaTe2
|
A2B
|
[
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[
0.3333333333333333,
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[
73,
52,
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| 2
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[
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0
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[
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data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/5518/MD_3341828850837531254695518.json
| null |
{"exfoliation_energy_per_atom": 0.676286165833333, "material_id": "2dm-2064", "source_id": "mp-672271", "total_magnetization": -0.0034532, "hash": "3341828850837531254695518012962466599825324162397869418457413106244292657184890944578907062870866394381382709505467143600290938138289586832052025957788141", "id": "MD_3341828850837531254695518"}
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PO_4253228998151917718093104
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| 2025-04-16T21:56:50
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -19.49537
|
[] |
[] | null | 0
|
unknown
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CO_2733578927256802606793149
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2733578927256802606793149617108403648611239146556709685692408423358113824854446297845577156343871104021857958970055237608459824358531183212807995136958229
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2.00989674494787,
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[
true,
true,
true
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B3Rh
|
B3Rh
|
A3B
|
[
"B",
"Rh"
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[
0.75,
0.25
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[
5,
5,
5,
45
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| 2
| 0
|
[
0,
0,
0
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[
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data/MD/6422/MD_8361437096859737127706422.json
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data/MD/1377/MD_7514349625190622024431377.json
| null |
{"exfoliation_energy_per_atom": 1.103960205, "material_id": "2dm-1210", "source_id": "mp-2294", "total_magnetization": 1.52e-05, "hash": "7514349625190622024431377873648788132367767751094877088615876490932512642805964543269023392448245436625879369249476480773767880310385274850565899561683610", "id": "MD_7514349625190622024431377"}
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{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
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PO_4258666318212415696472763
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| 2025-04-16T18:36:30
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -119.343577
|
[] |
[] | null | 3.4845
|
unknown
| null | null | null | null | null | null |
CO_4706353814290709918148718
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[
true,
true,
true
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Bi8F4O10
|
Bi4F2O5
|
A5B4C2
|
[
"Bi",
"F",
"O"
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[
0.36363636363636365,
0.18181818181818182,
0.45454545454545453
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[
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83,
83,
83,
83,
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83,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
9,
9,
9,
9
] | 22
| 3
| 0
|
[
0,
0,
0
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[
"twodmatpd_4084"
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data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/0593/MD_9786440473084605238240593.json
| null |
{"material_id": "2dm-4095", "source_id": "mp-753699", "total_magnetization": -0.0, "hash": "9786440473084605238240593385277103079504832522155135931916682835920558039929493417554987418548492913747734587649775645928684343379972508577701522030546273", "id": "MD_9786440473084605238240593"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
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PO_4265962717683466482796387
|
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| 2025-04-16T16:54:22
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -68.979521
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_9140088957813630846166765
|
9140088957813630846166765565269592912054279050899646137898612168266622183051963762031951201874395742611516903870883922559567113879503440084641615861013603
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[
4.15551258,
0.0577575973187304,
13.63200273511562
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[
true,
true,
true
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Ce4Se8
|
CeSe2
|
A2B
|
[
"Ce",
"Se"
] |
[
0.3333333333333333,
0.6666666666666666
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[
58,
58,
58,
58,
34,
34,
34,
34,
34,
34,
34,
34
] | 12
| 2
| 0
|
[
0,
0,
0
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[
"twodmatpd_3482"
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data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/4481/MD_2597117199836578348784481.json
| null |
{"exfoliation_energy_per_atom": 0.11099544833333308, "material_id": "2dm-3493", "source_id": "mp-1080310", "total_magnetization": 1.7218572, "hash": "2597117199836578348784481554132366655978087992209868447106321865442363907040888165625388749609042096603619099050531805090214746860874087908562820391854184", "id": "MD_2597117199836578348784481"}
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{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
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PO_4267076014974439610244977
|
4267076014974439610244977118939750013820170992234043279200615330317413272126868630936603327591309979482468278191689290063757729927841384971844358165881989
| 2025-04-16T16:23:01
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -15.671995
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_9640731069592812738947361
|
964073106959281273894736199078320270156432858690450076855202370806254099260380444403352353989632015094259561246903571879194770315889418702907326333247028
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0
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21.950498
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[
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19.61415328338396
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[
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1.9362796030672291,
2.33660724457212
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[
true,
true,
true
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Bi2Ti
|
Bi2Ti
|
A2B
|
[
"Bi",
"Ti"
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[
0.6666666666666666,
0.3333333333333333
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[
22,
83,
83
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| 2
| 0
|
[
0,
0,
0
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[
"twodmatpd_2914"
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data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/4403/MD_4456152860357217783714403.json
| null |
{"exfoliation_energy_per_atom": 0.15592793333333388, "material_id": "2dm-2925", "source_id": "mp-1008600", "total_magnetization": -4.2e-06, "hash": "4456152860357217783714403045710088060529650181449227823477951948266332871064472533456718085954345586599592459320733427408400716801496014517296869222372441", "id": "MD_4456152860357217783714403"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
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PO_4267480635763383038955633
|
4267480635763383038955633699105284108850994891005791724510470644070307575169101193068815754789686847496034835504526708424821313271905791600268116905624366
| 2025-04-16T22:03:29
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -9.530073
|
[] |
[] | null | 0.0001
|
unknown
| null | null | null | null | null | null |
CO_1117996830204329023956447
|
11179968302043290239564478538109730818393851419287786060323692642243345555705993696755797521424893211452669311124514152740513690220741534616672822256861460
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10243033189958842304299815547295268750322123170824845996009014416780396727369269305078173451482985000324568130405815345472521001992359265304272666348717919
|
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[
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0
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[
0,
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23.996075
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[
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[
1.95807218540806,
1.130491050278814,
11.99813708371125
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] |
[
true,
true,
true
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Si2
|
Si
|
A
|
[
"Si"
] |
[
1
] |
[
14,
14
] | 2
| 1
| 0
|
[
0,
0,
0
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[
"twodmatpd_5971"
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data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/9240/MD_3000528542514802971979240.json
| null |
{"exfoliation_energy_per_atom": 0.13975867250000018, "material_id": "2dm-5982", "source_id": "mp-48", "total_magnetization": 0.0, "hash": "3000528542514802971979240928876763505725578190886418981049566213658092246188951685122361281373513856101404369289236821569836982872536650251751505262348141", "id": "MD_3000528542514802971979240"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4267060806208721751055428
|
4267060806208721751055428840387241313121666000324192093231336167153687179866203148799645047056915342803193738427579351796256331797741020394726575078774790
| 2025-04-16T16:04:57
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -107.952514
|
[] |
[] | null | 4.2166
|
unknown
| null | null | null | null | null | null |
CO_9469237666480788058124082
|
9469237666480788058124082772675854023872168451292691676312997698731628531072708231562315717028899058555946176908623651182730609418196899502231035686886641
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0
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23.36856417
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[
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12.315019027856561
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[
4.347350907921947,
2.688813076691646,
12.315019027856561
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[
true,
true,
true
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As4O12S2
|
As2O6S
|
A6B2C
|
[
"As",
"O",
"S"
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[
0.2222222222222222,
0.6666666666666666,
0.1111111111111111
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[
33,
33,
33,
33,
16,
16,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 18
| 3
| 0
|
[
0,
0,
0
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[
"twodmatpd_3715"
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data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/0251/MD_9701724972988373414170251.json
| null |
{"material_id": "2dm-3726", "source_id": "mp-27230", "total_magnetization": 0.0, "hash": "9701724972988373414170251909550609686195733111078734208796329259205513585488359289404524450281177846661797438995736710695648725426495546519039803344515054", "id": "MD_9701724972988373414170251"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4268779458709771881573045
|
4268779458709771881573045132153493527429257072492917527758283518337235944574465945768570019972244110957007420097494568941604371385261317301388437285887371
| 2025-04-16T17:08:55
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -107.604687
|
[] |
[] | null | 0.9557
|
unknown
| null | null | null | null | null | null |
CO_6539875030139041886499779
|
6539875030139041886499779533970007179119568641164148422741587897121831757740598275850676897267612863244691999988450022566817830804043240421177163778588599
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[
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[
true,
true,
true
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As8Se20
|
As2Se5
|
A5B2
|
[
"As",
"Se"
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[
0.2857142857142857,
0.7142857142857143
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[
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34,
34,
34,
34,
34,
34,
34,
34,
34,
34,
34,
34,
34,
34,
34
] | 28
| 2
| 0
|
[
0,
0,
0
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[
"twodmatpd_899"
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data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/0163/MD_1029926308493267343730163.json
| null |
{"exfoliation_energy_per_atom": 0.04229458535714281, "material_id": "2dm-906", "source_id": "mvc-15221", "total_magnetization": -0.0, "hash": "10299263084932673437301631496872683710546439394055368249667172953675100594627546266856975798525604994757700315697499459598715680225164470553246445860458783", "id": "MD_1029926308493267343730163"}
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{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
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PO_4249232707443608186171511
|
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| 2025-04-16T18:04:50
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -47.225831
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_4725711917066518903018443
|
4725711917066518903018443970686571205688327024499946813641062048344816612457300415767415971978316165450592687376324853935062350417702065762974877428549574
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[
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0,
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[
true,
true,
true
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C4Zr2
|
C2Zr
|
A2B
|
[
"C",
"Zr"
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[
0.6666666666666666,
0.3333333333333333
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[
40,
40,
6,
6,
6,
6
] | 6
| 2
| 0
|
[
0,
0,
0
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[
"twodmatpd_1453"
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data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/4347/MD_2370739981092518400164347.json
| null |
{"exfoliation_energy_per_atom": 0.6968682933333339, "material_id": "2dm-1462", "source_id": "mp-2430", "total_magnetization": -0.0, "hash": "2370739981092518400164347653919146038327873233069432753691799660217287281195134780011732328165912627981219659410741400437370886683778714002904892671068920", "id": "MD_2370739981092518400164347"}
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{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
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PO_4255710274631534741450033
|
4255710274631534741450033551944232317950518157466447744828370959772598785274592848755779165547053517705568970459971322815213569204448784587851804432548784
| 2025-04-16T17:23:23
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -30.960891
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_2730222258982283017578070
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2730222258982283017578070648724030893431217269240094513532021183611765295344549980929587644470971168013223476155655015754903450512981363747285081738335296
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0
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[
0,
5.626445,
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[
0,
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21.223331
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[
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[
0.000332294343,
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0.651970320521
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] |
[
true,
true,
true
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Br4W2
|
Br2W
|
A2B
|
[
"Br",
"W"
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[
0.6666666666666666,
0.3333333333333333
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[
74,
74,
35,
35,
35,
35
] | 6
| 2
| 0
|
[
0,
0,
0
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[
"twodmatpd_989"
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data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/0039/MD_1056322291269026964140039.json
| null |
{"exfoliation_energy_per_atom": -0.1668051333333338, "material_id": "2dm-996", "source_id": "mp-554340", "total_magnetization": -0.0, "hash": "10563222912690269641400394137914116398098401618767312998563284936171743255591192737527481986964382080349688507833348200608837935989578830446527637330841436", "id": "MD_1056322291269026964140039"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4254270930104343928551099
|
425427093010434392855109982851733362088500798654086419292620037212723260542176202175003945659640734364247454201883860638693387236816851785957390591210747
| 2025-04-16T21:57:13
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -92.298191
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_5969700109465731116471266
|
5969700109465731116471266095979855113679664269927319348004751756690342963581110247416091809390597383821204050399797624053452764261069260076845314252312434
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[
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5.2302754,
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0,
0,
29.469277
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[
0.4666552137523254,
1.04882519168941,
14.30902257025925
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[
true,
true,
true
] |
Cu4F14Li4
|
Cu2F7Li2
|
A7B2C2
|
[
"Cu",
"F",
"Li"
] |
[
0.18181818181818182,
0.6363636363636364,
0.18181818181818182
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[
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3,
3,
3,
29,
29,
29,
29,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9
] | 22
| 3
| 0
|
[
0,
0,
0
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[
"twodmatpd_5735"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/8407/MD_8756783559200478023668407.json
| null |
{"exfoliation_energy_per_atom": 0.05212851727272749, "material_id": "2dm-5746", "source_id": "mp-867561", "total_magnetization": -0.0083233, "hash": "8756783559200478023668407340878967810692176325096554426774561694402957980158143955196668318048704897810285377585091698040145889859132892200851485117390095", "id": "MD_8756783559200478023668407"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4256424450925289368523967
|
425642445092528936852396710291410332316572425057682278214398790123053977826501075483769752960852220991986500351300621088486107102373232331458160285295248
| 2025-04-16T16:08:10
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -23.766487
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_7850086816315132312910383
|
7850086816315132312910383022708069881354927279117543800178820579872931786301412676208730292228598756051364155071392761705990627980715086695074027781530397
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8728703382665072554709404026659450132386956778569398493533752920780860939111789210471725404498675061282446287971269902191703722425117943921717899501333268
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0
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[
0,
4.25575827,
0
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[
0,
0,
22.865869
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[
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0
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0
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[
0,
2.127879135,
1.72205443282197
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[
2.127879135,
0,
21.14381456717803
]
] |
[
true,
true,
true
] |
Te2Ti2
|
TeTi
|
AB
|
[
"Te",
"Ti"
] |
[
0.5,
0.5
] |
[
22,
22,
52,
52
] | 4
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_2296"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/6627/MD_4025694688870156539956627.json
| null |
{"exfoliation_energy_per_atom": 0.09797796750000032, "material_id": "2dm-2303", "source_id": "mp-13152", "total_magnetization": 0.2787476, "hash": "4025694688870156539956627816686222991140182401697774095178337805900308631499010389325758333878246565266756212495337090509690302230283537035766390879786970", "id": "MD_4025694688870156539956627"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4296648230539582318027338
|
4296648230539582318027338214493830578342225432942096603819493745434935282576031830167842763751192839786645817244017922898021198357906945794108734066135243
| 2025-04-16T20:42:25
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -49.522798
|
[] |
[] | null | 3.1343
|
unknown
| null | null | null | null | null | null |
CO_1087960084462411123627611
|
10879600844624111236276112583717840844650165224334323720603574092689834022912309268989709461027074611449514664594105893667713723523156891804304676628267308
|
4795569358133146746462836178621361110166353322081734044431481046145189432418208075500902513028300755524417772524137257767549223493375564865849408484221704
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[
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0
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6.76971937,
0
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[
0,
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25.93473
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[
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0,
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13.720278740102998
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[
1.783431475,
3.4167537284734935,
12.214451259897
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] |
[
true,
true,
true
] |
Cl2La2O4
|
ClLaO2
|
A2BC
|
[
"Cl",
"La",
"O"
] |
[
0.25,
0.25,
0.5
] |
[
57,
57,
17,
17,
8,
8,
8,
8
] | 8
| 3
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_3083"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/7883/MD_1149101497956585735147883.json
| null |
{"exfoliation_energy_per_atom": 0.06630422000000014, "material_id": "2dm-3094", "source_id": "mp-1078998", "total_magnetization": -0.0, "hash": "11491014979565857351478838546429437663482940380463084939818441934040435999946800819125757529117058647165851114818495284107903666231833819305081942844984949", "id": "MD_1149101497956585735147883"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4297454981073344268682964
|
4297454981073344268682964258470683324258520926225406705514917642933945847976147337635131421796047601651051857222801610065911084211539552085824037388451304
| 2025-04-16T18:47:54
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -29.267401
|
[] |
[] | null | 2.3193
|
unknown
| null | null | null | null | null | null |
CO_4325353600387106474412494
|
4325353600387106474412494730239178455792007566072291907041344167378095348639886242207962341860006922501836200661884856286385100939167243986330172885079464
|
6599521213408159608187126204095677873463844743649639039903925175777772200623616801141350170158913558996498521323269095222833480676245337692543419071616563
|
[
[
4.17469099,
0,
0
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[
0,
5.5706348,
0
],
[
0,
0,
26.649162
]
] |
[
[
2.087345495,
0,
12.1779035355087
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[
0,
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14.471258464491301
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[
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[
0,
0,
14.108069027716201
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[
0,
0,
10.009804997758499
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[
2.087345495,
2.7853174,
16.6393570022415
]
] |
[
true,
true,
true
] |
Er2I2Se2
|
ErISe
|
ABC
|
[
"Er",
"I",
"Se"
] |
[
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] |
[
68,
68,
34,
34,
53,
53
] | 6
| 3
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_3450"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/9591/MD_1040953405306613242539591.json
| null |
{"exfoliation_energy_per_atom": 0.0608223799999994, "material_id": "2dm-3461", "source_id": "mp-28458", "total_magnetization": 0.0, "hash": "10409534053066132425395919659026514265689931788156876027453434663184647604374061176482410567385851130324321471037706522351815868094633292741550497284656336", "id": "MD_1040953405306613242539591"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4300556795746110819809029
|
4300556795746110819809029524819253323149878783415900742550362211745017616547260362465032354718383061490800589065917411904935190226900090101879045559965094
| 2025-04-16T20:08:38
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -70.236012
|
[] |
[] | null | 4.1061
|
unknown
| null | null | null | null | null | null |
CO_5416524303479892720160628
|
5416524303479892720160628952034487504254665290164598193269034274874897719409020443924502697582334711924373537137260083850177787435928638353730754336265057
|
3868586254393088720973133202175586704592782037225457897386245783209348775822287986095265325837756501082899338496032876392396432327496942614442420941174309
|
[
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5.88013846,
0,
0
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[
0,
5.52338769,
0
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[
0,
0,
25.460398
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] |
[
[
4.1851014052530235,
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11.37902789913104
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1.695037054746977,
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11.37902789913104
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4.1851014052530235,
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1.695037054746977,
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12.730199
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11.717862259230461
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0.7878896896893974,
2.364701128055527,
11.717862259230461
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[
2.787167460412159,
4.085365640762473,
10.066174442648101
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[
3.0929709995878416,
1.3236717957624726,
10.066174442648101
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[
2.787167460412159,
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15.394223557351902
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[
3.0929709995878416,
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15.394223557351902
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5.0922487703106025,
3.158686561944473,
13.74253574076954
],
[
0.7878896896893974,
0.39699271694447336,
13.74253574076954
]
] |
[
true,
true,
true
] |
Bi4F8O2
|
Bi2F4O
|
A4B2C
|
[
"Bi",
"F",
"O"
] |
[
0.2857142857142857,
0.5714285714285714,
0.14285714285714285
] |
[
83,
83,
83,
83,
8,
8,
9,
9,
9,
9,
9,
9,
9,
9
] | 14
| 3
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_4396"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/8938/MD_8197362059963309142448938.json
| null |
{"exfoliation_energy_per_atom": 0.132725681428572, "material_id": "2dm-4407", "source_id": "mp-753309", "total_magnetization": 0.0, "hash": "8197362059963309142448938054325650382559372706236673567937959492696337119265969468197280292810277788185380477982822624041449642152840438078326414102741333", "id": "MD_8197362059963309142448938"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4292011032103322863250160
|
4292011032103322863250160916885673338778003437964468591462279442865907759963586118717941226922497608411262687953577291107084428843046588934252423162677310
| 2025-04-16T20:41:25
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -32.085393
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_1235553771108595446263977
|
1235553771108595446263977005971218635224364986719371772337466246997987181643733228717683620671126229935139381227037763265561178292623672672467157078503216
|
7053011822618575104713458730440725189249875394362456877922927210008738035576528109829717063878836668998889382914610675492450682091998911717316735452918486
|
[
[
4.00456131,
0,
0
],
[
0,
4.59581706,
0
],
[
0,
0,
30.381957
]
] |
[
[
0,
1.148954265,
16.59478472249382
],
[
0,
3.446862795,
13.78717227750618
],
[
0,
1.148954265,
19.72596987064458
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[
0,
3.446862795,
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[
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2.002280655,
1.148954265,
13.76133698037123
],
[
2.002280655,
3.446862795,
16.62062001962877
]
] |
[
true,
true,
true
] |
Te6Tm2
|
Te3Tm
|
A3B
|
[
"Te",
"Tm"
] |
[
0.75,
0.25
] |
[
69,
69,
52,
52,
52,
52,
52,
52
] | 8
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_3121"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/9205/MD_4245631224949043761449205.json
| null |
{"exfoliation_energy_per_atom": 0.046476431249999894, "material_id": "2dm-3132", "source_id": "mp-1025537", "total_magnetization": -4.59e-05, "hash": "4245631224949043761449205417436107112396117051098607262503190308939025595732357152149681286404302768632038907299263917444111840231609689501018352751089173", "id": "MD_4245631224949043761449205"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4295853717075312583241108
|
4295853717075312583241108580164032526243451072456702470595474655744574912493258646475878353431420589165354304624100504580893425521298802629239420939464986
| 2025-04-16T17:08:55
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| null |
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_1189643440970245316994434
|
11896434409702453169944349662017984225689940011936483824466687954841757920549615485580221773497579152824923813683537825636124846828625395554351046245590069
|
4418373357805587021564651780369046086354839103745299694290962686054337913879583688845213308339375487941862548550690008762315233481284421355666100720316947
|
[
[
3.6721919,
0,
0
],
[
-1.83609595,
3.180211,
0
],
[
0,
0,
21.231711
]
] |
[
[
-0.0000018360959500566087,
2.1201417267369997,
14.69133635499594
],
[
1.8360977860959498,
1.060069273263,
15.49109074640706
]
] |
[
true,
true,
true
] |
PtS
|
PtS
|
AB
|
[
"Pt",
"S"
] |
[
0.5,
0.5
] |
[
78,
16
] | 2
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_1628"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/1257/MD_1168738610766058284601257.json
| null |
{"exfoliation_energy_per_atom": 0.6547209624999999, "material_id": "2dm-1638", "source_id": "mp-11693", "total_magnetization": 0.0955384, "hash": "11687386107660582846012572723114969566172946181500027388100193227973002583203344261671839651809774901248339805603871077745941723857335487057419205760863829", "id": "MD_1168738610766058284601257"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4295144871013605414577970
|
4295144871013605414577970988190828865944414828650000981816280724613032800160544079366538939273896580358028514858849450252525402079155679406354966098418726
| 2025-04-16T16:00:34
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -62.503004
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_9229343753755227507328111
|
9229343753755227507328111317414193847024377540031193832854069265477668896081122473699831828587156281655181572319180392661114931822323825106264374317898519
|
7315786482206511304167716993763411294646012697468302639842292213396543333130931278785888121086467872631566253988916490299105016787943408314226692887988067
|
[
[
4.3850055,
0,
0
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[
-2.19250275,
3.79752595,
0
],
[
0,
0,
56.585656
]
] |
[
[
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2.53168523250865,
35.6475090286408
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[
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2.53168523250865,
12.45753078405256
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[
0,
0,
8.97557601304768
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[
2.19250494250275,
1.26584071749135,
33.492425646614315
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[
0,
0,
29.94248490749512
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5.48659952798976
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26.418983816141917
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[
0,
0,
55.0071623452036
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[
2.19250494250275,
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18.61160452480024
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[
2.19250494250275,
1.26584071749135,
8.15926172003016
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[
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2.53168523250865,
25.59506893781048
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[
-0.0000021925027500345176,
2.53168523250865,
54.13840503206184
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[
2.19250494250275,
1.26584071749135,
29.105008710846718
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[
2.19250494250275,
1.26584071749135,
36.274531287637444
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[
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0,
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22.09759385307792
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[
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15.12612503328312
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[
0,
0,
32.64715307828224
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[
0,
0,
11.64211450539576
],
[
0,
0,
1.15196286285616
]
] |
[
true,
true,
true
] |
Te12Zn12
|
TeZn
|
AB
|
[
"Te",
"Zn"
] |
[
0.5,
0.5
] |
[
30,
30,
30,
30,
30,
30,
30,
30,
30,
30,
30,
30,
52,
52,
52,
52,
52,
52,
52,
52,
52,
52,
52,
52
] | 24
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_2670"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/1608/MD_7832874740130497963051608.json
| null |
{"exfoliation_energy_per_atom": -0.059820395000000026, "material_id": "2dm-2681", "source_id": "mp-557058", "total_magnetization": -0.1214114, "hash": "7832874740130497963051608528211440280949961909787618114730554152487597555841054881486107726816601672449827645692641363219970535623007739904656229125716257", "id": "MD_7832874740130497963051608"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4286563001932656825518980
|
4286563001932656825518980780043374777118765448441905865997197131965787078606570046848478032219116066239242755937406359588845333953602702665349140058329581
| 2025-04-16T21:26:02
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -34.597302
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_3000779165499502392174658
|
300077916549950239217465884353348014916227660873714955492338811050606151240164679067474048393870467583983185753315769847676208672049831061357079298471192
|
11883530668067987999370963629569712102753079889794485165435483254791100665802007378037037216197507123929578616482069153377621789936970865235037129149567559
|
[
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3.35400606,
0,
0
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[
-1.67700303,
2.90465456,
0
],
[
0,
0,
25.752814
]
] |
[
[
1.6770047070030298,
0.96821721844848,
11.68695328135338
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[
-0.0000016770030300890246,
1.93643734155152,
14.06586071864662
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[
0,
0,
12.876407
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[
1.6770047070030298,
0.96821721844848,
15.749649488092562
],
[
-0.0000016770030300890246,
1.93643734155152,
10.00316451190744
]
] |
[
true,
true,
true
] |
Cl2NSc2
|
Cl2NSc2
|
A2B2C
|
[
"Cl",
"N",
"Sc"
] |
[
0.4,
0.2,
0.4
] |
[
21,
21,
7,
17,
17
] | 5
| 3
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_3588"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/6521/MD_1251495771616391337726521.json
| null |
{"exfoliation_energy_per_atom": 0.04153319, "material_id": "2dm-3599", "source_id": "mp-28480", "total_magnetization": -6.8e-06, "hash": "12514957716163913377265212495875136275195447789285889593395644897201735757800245036300836656379828568294106341632011197273380217096648571322396946831258334", "id": "MD_1251495771616391337726521"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4288743562279242463715454
|
4288743562279242463715454877720228176435848931138829188307053878860216660722585743454080830754397604949833838114690465925904088992309778935136661412563328
| 2025-04-16T16:09:32
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -69.22895
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_4775352908185363223746511
|
4775352908185363223746511089680208071160567623478360215823258209088060009610624645901880264698932242827907296497499664926014385866624027748763368087360666
|
10067289011506541434819167408933904954345547586251349825926551534244597463853502366017915572050752552971092855117271922389025460301868464743191100644794407
|
[
[
2.93212836,
0.00013509,
0
],
[
-0.01374472,
6.96116162,
0
],
[
0,
0,
24.607794
]
] |
[
[
0,
0,
10.752595089822478
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[
0,
0,
13.855198910177519
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[
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3.48058081,
13.37937842206854
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[
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2.4834314448763126,
12.303897
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[
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3.48058081,
11.22841557793146
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2.9201879993156306,
4.477865265123688,
12.303897
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[
2.9156758675562613,
5.8271269494164155,
12.303897
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[
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10.000698284359858
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3.48058081,
14.60709571564014
],
[
0.0027077724437388007,
1.1341697605835848,
12.303897
]
] |
[
true,
true,
true
] |
C4O4Si2
|
C2O2Si
|
A2B2C
|
[
"C",
"O",
"Si"
] |
[
0.4,
0.4,
0.2
] |
[
14,
14,
6,
6,
6,
6,
8,
8,
8,
8
] | 10
| 3
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_3190"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/8044/MD_1140990969086209591868044.json
| null |
{"exfoliation_energy_per_atom": 0.06462542499999913, "material_id": "2dm-3201", "source_id": "mp-1001082", "total_magnetization": -2.1e-06, "hash": "11409909690862095918680448755530765970423683582654538253074115967019221469680158676150612179577573919892502361870041419692411312253053648972029374668865611", "id": "MD_1140990969086209591868044"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4289004423808960248845699
|
4289004423808960248845699386137987218309823526810354487270568517505457743847471708523475360756492080073410569453743383473167233173653928292952887772256214
| 2025-04-16T18:30:32
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -77.203782
|
[] |
[] | null | 3.4085
|
unknown
| null | null | null | null | null | null |
CO_8691286628497340412554432
|
8691286628497340412554432191228127404913744228630992296362539548298501871675005242387782792001964379929919337194607587527049367275574342842528762318805203
|
4710045616225357442779634452582632565831372909326041146919487482630908985895431751858456747204631212965594585345466865468978502219711829703084603172087195
|
[
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0.01932567,
0
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[
-1.40768302,
5.28194459,
0
],
[
0,
0,
25.42212
]
] |
[
[
-1.0876349397662648,
5.278844808295533,
12.711119233539602
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[
0.9674749647743912,
2.943007100266758,
13.893286709383199
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[
3.291098377572534,
2.3517739213528626,
11.5291813194396
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[
1.6994572488666906,
2.5741514144237123,
15.4093010241636
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[
0.006823770731832093,
4.495053588890782,
14.2624746168804
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[
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1.5036450612581373,
12.5301747522276
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[
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11.6973501685668
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11.1597252085764
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2.5592235542697472,
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10.012072836614399
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2.4708939796193437,
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12.891397909528798
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[
4.571091568493369,
1.6662235030773307,
13.725525122618398
]
] |
[
true,
true,
true
] |
O8SnW2
|
O8SnW2
|
A8B2C
|
[
"O",
"Sn",
"W"
] |
[
0.7272727272727273,
0.09090909090909091,
0.18181818181818182
] |
[
50,
74,
74,
8,
8,
8,
8,
8,
8,
8,
8
] | 11
| 3
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_4288"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/1030/MD_7895654253326407433691030.json
| null |
{"exfoliation_energy_per_atom": 0.05905633363636387, "material_id": "2dm-4299", "source_id": "mvc-668", "total_magnetization": -0.0, "hash": "7895654253326407433691030979639353791679624118436776143553132829667724367118853008513152740543397848148509429958994187064265110361339706105858476759616303", "id": "MD_7895654253326407433691030"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4291519750606546422131624
|
4291519750606546422131624475154396052469654036856341042441413396286188765236199504657500201722969952264458472025571534449336404010045768149894718003027722
| 2025-04-16T21:37:17
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -6.566958
|
[] |
[] | null | 0.0675
|
unknown
| null | null | null | null | null | null |
CO_2598297505473278100980386
|
2598297505473278100980386671417685072845293395147593506492790010167958273708572036946943989109968080782333188198279175997098555947158461467291706937244036
|
8479737917078061675233144468285036642582925325680291421137826894628518738896246709092564187896368422570983019428350481183584910334658825672499583704175959
|
[
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0,
0
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[
-2.043675,
3.539749,
0
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[
0,
0,
28.784137
]
] |
[
[
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2.359833846583,
9.706097348811
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[
2.043677043675,
1.179915153417,
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2.043677043675,
1.179915153417,
12.874137035305
],
[
-0.000002043674999950548,
2.359833846583,
15.909999964695
]
] |
[
true,
true,
true
] |
Ca2Sr2
|
CaSr
|
AB
|
[
"Ca",
"Sr"
] |
[
0.5,
0.5
] |
[
38,
38,
20,
20
] | 4
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_6069"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/5882/MD_5720657352009046534645882.json
| null |
{"material_id": "2dm-6086", "source_id": "mp-1039120", "total_magnetization": -0.0001985, "hash": "5720657352009046534645882754163391127817533636277539922595720184800421546837373962621918522545557231033831330330750041797406242332935489112741605308818732", "id": "MD_5720657352009046534645882"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4304348780587811202304978
|
4304348780587811202304978600083606516653270290038130893059106630853471842728188194412428426997325110453406468070910977683489202182924144855903543202299813
| 2025-04-16T17:58:31
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -15.146545
|
[] |
[] | null | 1.299
|
unknown
| null | null | null | null | null | null |
CO_3496180478367963993649355
|
3496180478367963993649355552285643524325207042079384971053113169742032374608870582682405904058869408373830986524199365755483951371384466180772074167353546
|
5442018422393586599299025804616143907443162171612577384557115809682564288884654529809694488007782780166156772653503070849178792243792345483208959419841888
|
[
[
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0,
0
],
[
0,
5.14005,
0
],
[
0,
0,
23.993582
]
] |
[
[
0,
0,
0
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[
2.570025,
0,
0
],
[
0,
2.570025,
0
],
[
0,
0,
21.663253335414
],
[
0,
0,
2.330328664586
]
] |
[
true,
true,
true
] |
Cl4Sn
|
Cl4Sn
|
A4B
|
[
"Cl",
"Sn"
] |
[
0.8,
0.2
] |
[
50,
17,
17,
17,
17
] | 5
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_12"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/4588/MD_1228518350596436576254588.json
| null |
{"exfoliation_energy_per_atom": 0.10162199599999955, "material_id": "2dm-13", "source_id": "mp-341", "total_magnetization": -0.0, "hash": "12285183505964365762545888509949527684405885616628543058147169999894694864075943419621918146196114820093511067242367335234645882973293037459016111050909290", "id": "MD_1228518350596436576254588"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4299290680732772685382514
|
4299290680732772685382514411504557280740639835983295277363195260056023501212378408989455849618913855629525493511402917420613659015628496727674121684774853
| 2025-04-16T20:04:32
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -21.98641
|
[] |
[] | null | 0.8203
|
unknown
| null | null | null | null | null | null |
CO_3277853456615504112918823
|
3277853456615504112918823626727700962582798752031653148680782329544188757786597046416181455287028213541442013417150571764280284873700828276824473025675054
|
12387663183830977621233541144835047368164021424127082832713348983819507022839178239206208551940620289467508882485435341001468765920834370592461596403604280
|
[
[
4.09062416,
0,
0
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[
0,
6.95855136,
0
],
[
0,
0,
29.666996
]
] |
[
[
2.04531208,
5.190616640480074,
16.49893521801916
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[
2.04531208,
1.7113409604800736,
13.16806078198084
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[
0,
5.1519124819606175,
14.334109599622522
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[
0,
1.6726368019606177,
15.332886400377479
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[
0,
6.408891839212407,
16.64955248002144
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[
0,
2.9296161592124066,
13.017443519978562
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6.464644518149377,
12.78376044919604
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[
2.04531208,
2.9853688381493764,
16.88323555080396
]
] |
[
true,
true,
true
] |
Cl2Cu2Hg2Se2
|
ClCuHgSe
|
ABCD
|
[
"Cl",
"Cu",
"Hg",
"Se"
] |
[
0.25,
0.25,
0.25,
0.25
] |
[
29,
29,
80,
80,
34,
34,
17,
17
] | 8
| 4
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_5601"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/2826/MD_3937442676946644161312826.json
| null |
{"exfoliation_energy_per_atom": 0.11029829000000002, "material_id": "2dm-5612", "source_id": "mp-569687", "total_magnetization": -0.0, "hash": "3937442676946644161312826518735176868662664151680717793386692819470403375796303149614255887326893266837816022781432854582769709917783766317346361218451208", "id": "MD_3937442676946644161312826"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4281676072605399828450949
|
4281676072605399828450949335256181745835086700979038036173252562078630721328771856542972762729815985293839976132681784177426833555524484012517167868397771
| 2025-04-16T16:09:21
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -115.501977
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_7322663012982874545085596
|
7322663012982874545085596037617041479715175132852535433891296337780240674581207199553089825247577819439837622079203492425165336769600279261498707221031954
|
4315760361587741114716434945010845996409560641209988512531785289832089387147433544416767724111665967763372649205624873558983775777321808732606175130999389
|
[
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0,
0
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[
0,
16.095215,
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[
0,
0.053339,
28.440545
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] |
[
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0.903696,
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12.210324232681,
23.934577669362998
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[
0.903696,
3.938229767319,
-1.126959669363
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] |
[
true,
true,
true
] |
Te18V6
|
Te3V
|
A3B
|
[
"Te",
"V"
] |
[
0.75,
0.25
] |
[
23,
23,
23,
23,
23,
23,
52,
52,
52,
52,
52,
52,
52,
52,
52,
52,
52,
52,
52,
52,
52,
52,
52,
52
] | 24
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_471"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/9685/MD_2152837322608012153279685.json
| null |
{"exfoliation_energy_per_atom": 0.08017498166666703, "material_id": "2dm-477", "source_id": "mp-525", "total_magnetization": 0.5183944, "hash": "215283732260801215327968543843588021725174448628729246451388790336570856675940010089338208021594718654491741836018709579402869040212079261159617719368972", "id": "MD_2152837322608012153279685"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4270135574936017192105491
|
4270135574936017192105491887443365567468248328957717220923083511549818424287269885141760654147248732895510305426862371766115060190205537243643018048573836
| 2025-04-16T19:57:47
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -5.054915
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_1309937437233313463075618
|
13099374372333134630756188381504558042244675532029015085147219310915990821069077835838739763480424830308679139325282513908879490641457946506512327445451408
|
7759881940381653617759078148222708121534218220491945052896848223832722024891676165585644044683144680431031708064067696793589317420236283906262896375993588
|
[
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5.08334183,
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],
[
-2.54168463,
4.40229529,
0.00002465
],
[
-0.00009711,
0.00005565,
20
]
] |
[
[
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2.9348808959719355,
7.707467986680167
],
[
5.083303950867612,
0.000005869033674299998,
7.707035460002963
]
] |
[
true,
true,
true
] |
BiTl
|
BiTl
|
AB
|
[
"Bi",
"Tl"
] |
[
0.5,
0.5
] |
[
81,
83
] | 2
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_1301"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/3232/MD_1070102585684742669253232.json
| null |
{"material_id": "2dm-6408", "source_id": "mp-7991", "total_magnetization": 0.1675042, "hash": "10701025856847426692532323746688792494988030996610070040917328582642419985653632316052212139553510184239494197232870856607301433193458691014780248166854365", "id": "MD_1070102585684742669253232"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
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PO_4270986933492255954220165
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| 2025-04-16T17:18:32
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -47.591145
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_2564504385610569332504097
|
256450438561056933250409757753619197740263114684576150147714847654119365786114407146557068434916300587879131773255117326578731362736125314363966324039895
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32.10403613
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3.6352132521990037,
2.1004634463761738,
16.048785865860935
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[
true,
true,
true
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Fe2Ga2S5
|
Fe2Ga2S5
|
A5B2C2
|
[
"Fe",
"Ga",
"S"
] |
[
0.2222222222222222,
0.2222222222222222,
0.5555555555555556
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[
31,
31,
26,
26,
16,
16,
16,
16,
16
] | 9
| 3
| 0
|
[
0,
0,
0
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[
"twodmatpd_5393"
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data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/2262/MD_4043945183994809065622262.json
| null |
{"exfoliation_energy_per_atom": 0.02602331166666616, "material_id": "2dm-5404", "source_id": "mp-616672", "total_magnetization": 7.1894018, "hash": "4043945183994809065622262829768698984997959680357411097827616521867605326412624946001925433538773666420151661958117562800374960986048888762418537680329917", "id": "MD_4043945183994809065622262"}
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{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
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PO_4336732891317944683403884
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4336732891317944683403884853768450728418212408006957394071815348039937209931464140848205428535894090599332452329420560938045968477694524309512222231388496
| 2025-04-16T21:12:08
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -54.971913
|
[] |
[] | null | 0
|
unknown
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CO_1200238756632740960160610
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29.19718181
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[
3.477598530412913,
2.182258055189072,
2.891021858370115
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[
true,
true,
true
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Br7Er6
|
Br7Er6
|
A7B6
|
[
"Br",
"Er"
] |
[
0.5384615384615384,
0.46153846153846156
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[
68,
68,
68,
68,
68,
68,
35,
35,
35,
35,
35,
35,
35
] | 13
| 2
| 0
|
[
0,
0,
0
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[
"twodmatpd_687"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/7957/MD_3363330009287403200607957.json
| null |
{"exfoliation_energy_per_atom": 0.08339958923076862, "material_id": "2dm-694", "source_id": "mp-571258", "total_magnetization": 0.7549707, "hash": "3363330009287403200607957877740835091467608955893234719353982612773783357862510600080302567150921569669361278711142349193998551902657314138834282101296157", "id": "MD_3363330009287403200607957"}
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{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4335920932307654764924464
|
4335920932307654764924464374003961973917352705061542191350594909758188061248145321208931291468718260248980270970057419176808449410862559270201470828642176
| 2025-04-17T18:37:27
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -9.291719
|
[] |
[] | null | 1.573
|
unknown
| null | null | null | null | null | null |
CO_3278821164542178201642216
|
3278821164542178201642216547996189935360982704383744881180852612794259499661752904344403582099686409652495187652071039163040257304998229183240117812313886
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0
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1.80307413,
3.12301558,
0
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[
0,
0,
21.287882
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[
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1.80307232692587,
1.04100415232814,
9.94174254328794
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[
0,
0,
11.34613945671206
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] |
[
true,
true,
true
] |
As2
|
As
|
A
|
[
"As"
] |
[
1
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[
33,
33
] | 2
| 1
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_3301"
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data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/1767/MD_1021170584949040103771767.json
| null |
{"exfoliation_energy_per_atom": 0.1557424850000002, "material_id": "2dm-3312", "source_id": "mp-11", "total_magnetization": 0.0, "hash": "10211705849490401037717672144718926348051884894734309858078114665193115061379776641289012365061893144155406049331282294055327420350925150379959614579189670", "id": "MD_1021170584949040103771767"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4335321196554725348565399
|
4335321196554725348565399685735611226011306668441477575236758245883152027106017932675983453919796267532145462113231593875243397470154484390816448432242507
| 2025-04-16T18:29:07
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -22.251108
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_6190101187533779304335574
|
6190101187533779304335574637231317493054001504876035791888478081399836716096388772275785714462657487246579632925832115837829576577400032241874419726275458
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[
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0.689789,
8.013446,
0.887588
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[
2.041114,
1.810906,
22.532182
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[
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3.527074806193,
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3.098954433548,
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21.585893285333
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21.278822342283
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[
1.961701681506,
6.353194805574,
2.9782683058279997
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] |
[
true,
true,
true
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I8Si2
|
I4Si
|
A4B
|
[
"I",
"Si"
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[
0.8,
0.2
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[
14,
14,
53,
53,
53,
53,
53,
53,
53,
53
] | 10
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_2563"
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data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/7005/MD_2243301123964655646727005.json
| null |
{"exfoliation_energy_per_atom": 0.47123153000000007, "material_id": "2dm-2574", "source_id": "mvc-13985", "total_magnetization": -3.7e-06, "hash": "2243301123964655646727005055315375377477231453271280420529354832470471239902282451099301331190703921314980383492383275248780850984552402016231303269757409", "id": "MD_2243301123964655646727005"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4324279889435920407503851
|
4324279889435920407503851705032415212000810493643897472100410586889215210373832636875191340772312045356388808702255008364957677943448916812861751654070391
| 2025-04-16T15:42:34
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -60.55594
|
[] |
[] | null | 1.4919
|
unknown
| null | null | null | null | null | null |
CO_8430639340648796923760784
|
8430639340648796923760784662631545620343587036321731185609606242415563709965276416016749334338609846968258114592023750722448866691987270178706794870416987
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[
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[
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0
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[
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25.42458
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[
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14.485185371498998
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[
1.5328132153614011,
0.8333330041870306,
10.939394628501
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[
true,
true,
true
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H2O5V2
|
H2O5V2
|
A5B2C2
|
[
"H",
"O",
"V"
] |
[
0.2222222222222222,
0.5555555555555556,
0.2222222222222222
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[
23,
23,
1,
1,
8,
8,
8,
8,
8
] | 9
| 3
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_3302"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/4023/MD_8642694674823553634154023.json
| null |
{"exfoliation_energy_per_atom": 0.129288585555555, "material_id": "2dm-3313", "source_id": "mp-1079538", "total_magnetization": 1.9996638, "hash": "8642694674823553634154023300315043759212572947505414813844699113606354933327219461595589631687439967263620779775916810076264033584007870572844036219155442", "id": "MD_8642694674823553634154023"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4322730254773492173977791
|
4322730254773492173977791580869455593964381748747814230820366818255059146775734817177779596887530535705937361639394921239349903118029485970158079629206447
| 2025-04-16T18:07:46
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -28.440927
|
[] |
[] | null | 0.4637
|
unknown
| null | null | null | null | null | null |
CO_9140973431424205634127326
|
9140973431424205634127326882637599368377025176810996641996970886238700565776893433829925155891202200158520738917803849874073623773782166199293945803846469
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[
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[
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[
0.000729,
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21.198253
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[
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11.021789373436
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[
6.780766969736999,
1.155753223472,
11.022145046029001
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] |
[
true,
true,
true
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In2Sb6
|
InSb3
|
A3B
|
[
"In",
"Sb"
] |
[
0.25,
0.75
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[
49,
49,
51,
51,
51,
51,
51,
51
] | 8
| 2
| 0
|
[
0,
0,
0
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[
"twodmatpd_1822"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/8441/MD_1549348725727661705588441.json
| null |
{"exfoliation_energy_per_atom": 0.3948721312500001, "material_id": "2dm-1830", "source_id": "mp-20050", "total_magnetization": -0.0, "hash": "1549348725727661705588441795760399460956330198993482384535026979272751469957566605481667147496196367565179163444537367941544427101311314875503340793720560", "id": "MD_1549348725727661705588441"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4310699042117051237108234
|
4310699042117051237108234783900008648492088573432322384858961430374876280997008852661204606075969816811060711571047686022258920013866674372711602285697564
| 2025-04-16T15:43:17
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -270.405796
|
[] |
[] | null | 1.4238
|
unknown
| null | null | null | null | null | null |
CO_1001581603274264382097450
|
1001581603274264382097450139127535530847021948527179741349862022808716444272855581376809399355703338629331431827835974925968126682632216435206731129638751
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13.81397942625268
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[
1.2445296796837002,
1.3479562898566924,
16.60472657374732
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[
true,
true,
true
] |
Ca4Ge8O24W4
|
CaGe2O6W
|
A6B2CD
|
[
"Ca",
"Ge",
"O",
"W"
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[
0.1,
0.2,
0.6,
0.1
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[
20,
20,
20,
20,
32,
32,
32,
32,
32,
32,
32,
32,
74,
74,
74,
74,
8,
8,
8,
8,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 40
| 4
| 0
|
[
0,
0,
0
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[
"twodmatpd_5802"
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data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/3198/MD_1198897949923820675033198.json
| null |
{"material_id": "2dm-5813", "source_id": "mvc-8433", "total_magnetization": 8.017867, "hash": "11988979499238206750331986833758276060862644422064685233682957571668291379250242835277514303592333738827750924554438906476449500493395920007800120079891153", "id": "MD_1198897949923820675033198"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4310316893692916128431001
|
4310316893692916128431001303990177606367249379843160378146012025782579753692597328014188729034878751796705888749298572572584733330181657267434368406976374
| 2025-04-16T18:03:12
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -68.86662
|
[] |
[] | null | 3.3388
|
unknown
| null | null | null | null | null | null |
CO_6281492533658473890153287
|
6281492533658473890153287376783270033747073332589813902720238847913892008935315011786116711831621124398672859313703697684241285544314206090072420087752778
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0
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[
3.01579681,
5.22351356,
0
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[
0,
0,
25.183875
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[
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13.95177936195375
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[
4.898980028384678,
2.3100772524748296,
11.23209563804625
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[
true,
true,
true
] |
Bi2Ho2O6
|
BiHoO3
|
A3BC
|
[
"Bi",
"Ho",
"O"
] |
[
0.2,
0.2,
0.6
] |
[
67,
67,
83,
83,
8,
8,
8,
8,
8,
8
] | 10
| 3
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_5722"
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data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/7761/MD_9350421816490870549847761.json
| null |
{"exfoliation_energy_per_atom": 0.28974939200000005, "material_id": "2dm-5733", "source_id": "mp-754300", "total_magnetization": 0.0, "hash": "9350421816490870549847761911568767110914462245063252255693524230802839005028731958957429314014135920755845767654827622639551084115038569009496757039584092", "id": "MD_9350421816490870549847761"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4312403899212175171096860
|
4312403899212175171096860258748830816591529776857211303906048831485027144628438630452557225595071328076609458085202334081096527451808550561440966030807502
| 2025-04-16T17:38:31
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -55.747619
|
[] |
[] | null | 0.8717
|
unknown
| null | null | null | null | null | null |
CO_9830844188003038059805977
|
9830844188003038059805977741960057589364417403954729243130167970668504438366569456105283835227755427894318589962173799215848776530817386213900290916699452
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0
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[
0,
11.39903179,
0
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[
0,
0,
30.194773
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[
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4.019203199257918,
17.87025342658164
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[
0,
9.718719094257919,
13.31711234624736
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] |
[
true,
true,
true
] |
Al8Se6
|
Al4Se3
|
A4B3
|
[
"Al",
"Se"
] |
[
0.5714285714285714,
0.42857142857142855
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[
13,
13,
13,
13,
13,
13,
13,
13,
34,
34,
34,
34,
34,
34
] | 14
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_1584"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/5802/MD_1079808187299492031255802.json
| null |
{"exfoliation_energy_per_atom": 0.1341766382142855, "material_id": "2dm-1593", "source_id": "mp-19932", "total_magnetization": 0.0, "hash": "1079808187299492031255802465244562343007321270903013453107318243682151387540743691496912180833241754166225611655928347602442775421149680741014481691968874", "id": "MD_1079808187299492031255802"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4331472022481408869761379
|
4331472022481408869761379814015754080242978448079875367355693109645522527637059043871262150920174676511743831140774980393988839802503665723644158272592173
| 2025-04-16T21:29:37
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -39.666149
|
[] |
[] | null | 4.1672
|
unknown
| null | null | null | null | null | null |
CO_7097422411019348139677645
|
7097422411019348139677645414306699151369232777608946107304784675139703889879117559444153758034905962129472626032649486697074956411169659535357919077111786
|
1753442589699283190889162408437839184494541874852436618019536078944774360763232286054547261006098454896533533378914798254157636400915103996253301083582853
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[
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0,
0
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[
2.02497452,
3.50735843,
0
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[
0,
0,
26.964659
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[
[
2.02497216502581,
1.16911830754719,
11.97435898867036
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[
0,
0,
14.99030001132964
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4.04995040497419,
2.33824012245281,
16.96064161992998
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4.04995040497419,
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10.00401738007002
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2.02497216502581,
1.16911830754719,
14.375019613327868
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[
0,
0,
12.58963938667213
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] |
[
true,
true,
true
] |
Br2O2Pr2
|
BrOPr
|
ABC
|
[
"Br",
"O",
"Pr"
] |
[
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] |
[
59,
59,
35,
35,
8,
8
] | 6
| 3
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_3865"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/1235/MD_3032723288721337017731235.json
| null |
{"exfoliation_energy_per_atom": 0.03741629666666668, "material_id": "2dm-3876", "source_id": "mp-756702", "total_magnetization": 0.0, "hash": "3032723288721337017731235113078495501038810171426098253945459410376136250776552789811740540210159650730772619408534444124083030657473582231238806704897241", "id": "MD_3032723288721337017731235"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4330042485102372354447621
|
4330042485102372354447621268830395844739285205582425753241162510840851442502290171328982631462431411152599491904501769265574957247446537217610820340704427
| 2025-04-16T15:44:22
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -10.679356
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_3757733560798728829509070
|
3757733560798728829509070156576017558360272227676468014238651715838123095746922480564776438524855914994702955230920428207688303075692132305129022322111896
|
7281861244490329693130140396899439004521264128639333178265417555375604915470870243631271378790520160923486254800313760163207601279663993728643330899592796
|
[
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3.7155946,
0,
0
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[
0,
3.7155946,
0
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[
0,
0,
22.883476
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] |
[
[
0,
0,
11.674541441242681
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[
0,
0,
8.29108541747332
],
[
1.8577973,
1.8577973,
9.982824871096001
]
] |
[
true,
true,
true
] |
RhSr2
|
RhSr2
|
A2B
|
[
"Rh",
"Sr"
] |
[
0.3333333333333333,
0.6666666666666666
] |
[
38,
38,
45
] | 3
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_1745"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/9986/MD_3824642993716211889379986.json
| null |
{"exfoliation_energy_per_atom": 0.19576657333333336, "material_id": "2dm-1755", "source_id": "mp-12693", "total_magnetization": 0.0048606, "hash": "3824642993716211889379986042651645308905857969029689524934944985614166915400766439992361478091251369533060416687328190088923671682028266208804593349188948", "id": "MD_3824642993716211889379986"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4343382606662883119664065
|
4343382606662883119664065515624457181281186807743823572383732043568004340618526116829432883861900779410549665833611161910550253801982478731724757458310941
| 2025-04-16T18:45:21
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -6.739636
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_1024826099471161207748820
|
10248260994711612077488203393734178108970661154138468750491518740783102286352193099163988032134788663484405133651858924075327231018402687726361724697744953
|
779057844148498344345839257107242815271003376811859471085852819832827911641030454109554544285578525773005134316054839639418307783898913099623476573930741
|
[
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0,
0.579145
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[
0,
4.019324,
0
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[
4.664725,
0,
26.126953
]
] |
[
[
2.35939124066,
1.004831,
2.43590203336
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[
3.53789696984,
3.014493,
8.64053014298
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[
1.856383355655,
1.004831,
5.951639695329
],
[
4.0409001901199995,
3.014493,
5.124766354058
]
] |
[
true,
true,
true
] |
Ba2Li2
|
BaLi
|
AB
|
[
"Ba",
"Li"
] |
[
0.5,
0.5
] |
[
56,
56,
3,
3
] | 4
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_2441"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/7507/MD_1059759655916693015727507.json
| null |
{"exfoliation_energy_per_atom": 0.21912958500000002, "material_id": "2dm-2449", "source_id": "mp-1001825", "total_magnetization": 0.0755944, "hash": "10597596559166930157275070362448275139425617403782178754855204463820405262912827566308641747384464779959775037745316134367804104791676407018700799306107242", "id": "MD_1059759655916693015727507"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4339339271652363367670294
|
4339339271652363367670294222292833498259282389806477179728199763432077877569762085720773254855033924173653192729749913677124389598596698946056970870837957
| 2025-04-16T21:21:56
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -5.13776
|
[] |
[] | null | 3.8631
|
unknown
| null | null | null | null | null | null |
CO_5388367943756567810453044
|
5388367943756567810453044515107954179693727715266618386802991384024177761976463014918210145621876515123929190807450697125829402265610172613825988606622342
|
10501635311122441097165594362049869123288031140666029692725420701982303951718642602690231438132657720056331667946811699882664559737768024721864669023319779
|
[
[
4.3977225,
0,
0
],
[
0,
4.3977225,
0
],
[
0,
0,
20
]
] |
[
[
2.19886125,
2.19886125,
10
],
[
0,
0,
10
]
] |
[
true,
true,
true
] |
INa
|
INa
|
AB
|
[
"I",
"Na"
] |
[
0.5,
0.5
] |
[
11,
53
] | 2
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_3204"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/8249/MD_2126672290396241127798249.json
| null |
{"exfoliation_energy_per_atom": 0.10948179499999999, "material_id": "2dm-3215", "source_id": "mp-1064979", "total_magnetization": 0.0, "hash": "2126672290396241127798249497575869557973129947815958844374478704002051995255728487697153636112233222546460761082074738777629858623996424461675935411396524", "id": "MD_2126672290396241127798249"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4345811690719256712710711
|
4345811690719256712710711251381010432734713922818367479445201175300436051548471138949362613166007932601066100141722852372043771140003998506159615474552646
| 2025-04-16T17:32:46
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -4.531263
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_1317758963276382962329321
|
13177589632763829623293215081288686651497098533131848284128926478545134182275079616967138996809706507933301289161562937076734199757760339876654194332436803
|
6202156890604636365694045323240841395428828350573320900910771422724565788221186700744188662530319402910407320783127936383286531445082083038948765214758208
|
[
[
2.42504561,
0.00019738,
0
],
[
0.00055677,
2.42504559,
0
],
[
0,
0,
20
]
] |
[
[
1.2128011900000002,
1.2126214849999999,
10
]
] |
[
true,
true,
true
] |
Si
|
Si
|
A
|
[
"Si"
] |
[
1
] |
[
14
] | 1
| 1
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_5937"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/3180/MD_1716953322507014783483180.json
| null |
{"exfoliation_energy_per_atom": 0.6495009349999998, "material_id": "2dm-5948", "source_id": "mp-1097832", "total_magnetization": 5e-07, "hash": "1716953322507014783483180485051944707676105293077011015774589131417388664319196533304984657648987635345547946001755241820382120808040696473669697304801346", "id": "MD_1716953322507014783483180"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4346448655447457458163826
|
4346448655447457458163826892190607576713032976467274209880136628973298868283019290578910995378606187338666920572483113056612429466658083826842835223840374
| 2025-04-16T20:04:36
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -31.417712
|
[] |
[] | null | 0.5758
|
unknown
| null | null | null | null | null | null |
CO_3080458776327212426436550
|
3080458776327212426436550529518862312506852094374663639104971428911351058479210373033405150334659491583405131621760141796496362404634916136596061067375507
|
778641249968407213499413386920122471838740620167479364234724106856644134084414376943600079088971785518460072791243349282226646058082514547190577776401063
|
[
[
3.49561962,
0,
0
],
[
0,
6.44878588,
-0.56695699
],
[
0,
0.21815208,
24.42650741
]
] |
[
[
2.621714715,
1.9632282209591054,
-0.12024308428888879
],
[
0.873904905,
4.703709739040894,
23.97979350428889
],
[
0.873904905,
2.9032541192322325,
1.8137051994107798
],
[
0.873904905,
0.5703732691069509,
22.81538280056832
],
[
2.621714715,
3.7636838407677677,
22.04584522058922
],
[
2.621714715,
6.096564690893048,
1.0441676194316807
]
] |
[
true,
true,
true
] |
Br4Zr2
|
Br2Zr
|
A2B
|
[
"Br",
"Zr"
] |
[
0.6666666666666666,
0.3333333333333333
] |
[
40,
40,
35,
35,
35,
35
] | 6
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_1541"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/1255/MD_1055824538820298215031255.json
| null |
{"exfoliation_energy_per_atom": 0.07010577666666684, "material_id": "2dm-1550", "source_id": "mp-571279", "total_magnetization": 0.0, "hash": "10558245388202982150312555589746633674540948280120542771864198999852673235831569826812447899883151106512226513125381132441957361994863809085075040328586552", "id": "MD_1055824538820298215031255"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4350633409317567858502466
|
4350633409317567858502466003485134286417055317343298361105066439556561743252481286392762661228997286463547459066083959290695594044676707437544821460117193
| 2025-04-16T16:29:45
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -24.998626
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_1337256141319202608536146
|
13372561413192026085361464135187924521808171824517127567402306759969271407762711854231074403028131910120548177817433165944300598771643081666833693671825433
|
6247551241563229141413091838337817085783705086990766148246295979493759200270112890758578403974936025938793201906875107937895569560904760473159043093038743
|
[
[
3.87983531,
0.00156565,
0
],
[
1.935692,
3.36247219,
0
],
[
0,
0,
24.186444
]
] |
[
[
0,
0,
12.093222
],
[
1.938319439602663,
1.1212362341792448,
14.079570235030442
],
[
3.8772078703973367,
2.2428016058207554,
10.106873764969562
],
[
1.937285322536399,
1.120638040970536,
10.218643676253482
],
[
3.8782419874636007,
2.243399799029464,
13.967800323746522
]
] |
[
true,
true,
true
] |
Cu2S2Tb
|
Cu2S2Tb
|
A2B2C
|
[
"Cu",
"S",
"Tb"
] |
[
0.4,
0.4,
0.2
] |
[
65,
29,
29,
16,
16
] | 5
| 3
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_3057"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/5182/MD_1028031316003206253965182.json
| null |
{"exfoliation_energy_per_atom": 0.11163124399999935, "material_id": "2dm-3068", "source_id": "mp-1018637", "total_magnetization": -7e-07, "hash": "10280313160032062539651826147556911613353941397363321774737508294913897111210330736871809235949900108516980173566971070600251166716981706725320439006239381", "id": "MD_1028031316003206253965182"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4350471750697156532533701
|
4350471750697156532533701942455208587103711837451515463759573385136762557241200701416101813015123224356968911088287847685187269971505371224635579787440589
| 2025-04-16T18:25:21
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -34.863273
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_6466032152946880905259793
|
6466032152946880905259793410246931116448505375307985609666309135161136778307801280104580185773369862025215791520576533220143708190744906554719717529961198
|
5423342964054412015871312286023217038398594776353584838201578643459638819996836675260689711769894419275785368494562877918603711037560769416397926598157145
|
[
[
5.65850669,
-0.01684402,
-0.0258603
],
[
0.88495481,
5.59504396,
-0.02377974
],
[
-0.09915692,
-0.07618671,
21.84839749
]
] |
[
[
3.525836370641,
2.1310713131105934,
11.000070497154136
],
[
1.1532877057360236,
4.917227550067919,
10.998952014450653
],
[
3.7272167307828687,
4.706591564398892,
11.128079904580062
],
[
3.8611238385340405,
-0.014258485105461603,
9.550478624990628
],
[
2.999800785025311,
4.086563832458814,
11.419118644009155
],
[
1.1201096189724435,
1.626654869653201,
11.308006748528326
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[
4.0278385255005125,
0.1250692250283913,
10.499868285036934
],
[
5.933815935321991,
2.6011099499857506,
11.294280745756959
]
] |
[
true,
true,
true
] |
H2Ag2O4
|
AgHO2
|
A2BC
|
[
"Ag",
"H",
"O"
] |
[
0.25,
0.25,
0.5
] |
[
47,
47,
1,
1,
8,
8,
8,
8
] | 8
| 3
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_4912"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/1431/MD_6179739791023568167431431.json
| null |
{"exfoliation_energy_per_atom": 0.12688373250000007, "material_id": "2dm-4923", "source_id": "mp-996958", "total_magnetization": 1.2364726, "hash": "6179739791023568167431431774576514938428408687165405037860468838184726201653730194363263395058742246702323234803641195655862510639358823328109234306993180", "id": "MD_6179739791023568167431431"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4360599428762198784895391
|
4360599428762198784895391410583972960363232439789577024720874598716911904731957421578687480061642031408438261159550223432309938084182356650364159249579065
| 2025-04-16T16:46:28
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -28.05388
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_4819906168234351169447780
|
4819906168234351169447780114002648780229309449730654048439778982980852357949495108977720515395446043443919345906051518787303643982457592320272801119243993
|
4375803171335996386053683278581453712496361734444397113757602409326981530792123546216051135828966825843862322377127028579523815422971503071268627430754761
|
[
[
3.61904725,
0,
0
],
[
0,
3.61904725,
0
],
[
0,
0,
26.06661
]
] |
[
[
0,
1.809523625,
14.413945937266801
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[
1.809523625,
0,
11.6526640627332
],
[
0,
1.809523625,
10.0176724437372
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[
1.809523625,
0,
16.0489375562628
],
[
0,
0,
13.033305
],
[
1.809523625,
1.809523625,
13.033305
]
] |
[
true,
true,
true
] |
Br2O2Yb2
|
BrOYb
|
ABC
|
[
"Br",
"O",
"Yb"
] |
[
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] |
[
70,
70,
35,
35,
8,
8
] | 6
| 3
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_4809"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/2623/MD_1422028824832964556852623.json
| null |
{"exfoliation_energy_per_atom": 0.0920917883333332, "material_id": "2dm-4820", "source_id": "mp-601693", "total_magnetization": 0.021789, "hash": "1422028824832964556852623473974247721253737870147471874826618580924708285265943736972463131489948164800185013923997197795740999549155771765198297613216364", "id": "MD_1422028824832964556852623"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4358045601270075854021504
|
4358045601270075854021504267539184069959818515701928925224781698712020116343955658932502595346440911491296260363557395962299940347982335990078236191511096
| 2025-04-16T18:07:46
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -38.402836
|
[] |
[] | null | 0.0341
|
unknown
| null | null | null | null | null | null |
CO_7556650055531563655918759
|
7556650055531563655918759885730812468283710567685742430976094174449842575318198034946332583374062581748194352436892372753104278810856103884422917567168165
|
5953762101772832225055473383366034359217689264202630932840792078494911072218134821976256475385334510447403104248068161606279934827866171171188525897218587
|
[
[
4.16430894,
0,
0
],
[
0,
9.96621706,
0
],
[
0,
0,
24.951208
]
] |
[
[
2.08215447,
0,
12.65971497163872
],
[
0,
4.98310853,
12.29149302836128
],
[
0,
1.8312776347737512,
10.98678812423928
],
[
2.08215447,
3.1518308952262486,
13.96441987576072
],
[
2.08215447,
4.98310853,
9.98149921318976
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[
0,
0,
14.96970878681024
],
[
0,
8.13493942522625,
10.98678812423928
],
[
2.08215447,
6.814386164773751,
13.96441987576072
]
] |
[
true,
true,
true
] |
I6U2
|
I3U
|
A3B
|
[
"I",
"U"
] |
[
0.75,
0.25
] |
[
92,
92,
53,
53,
53,
53,
53,
53
] | 8
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_3417"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/4427/MD_2342953498752411768764427.json
| null |
{"exfoliation_energy_per_atom": 0.09265364999999992, "material_id": "2dm-3428", "source_id": "mp-23244", "total_magnetization": 6.0016142, "hash": "2342953498752411768764427786274593159714106977579101202723617615696823977203437198507002643977710026558863064782493299739375400808985254562203082921472074", "id": "MD_2342953498752411768764427"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4358119432441272620036374
|
4358119432441272620036374512500096469512158842338721483853755187564921476670647620563677295363031898071762407554842688299088436311049325011115285257504975
| 2025-04-16T16:32:30
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -37.566308
|
[] |
[] | null | 0.4231
|
unknown
| null | null | null | null | null | null |
CO_4582225603381237095409972
|
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true,
true,
true
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As4K4Pd2
|
As2K2Pd
|
A2B2C
|
[
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[
0.4,
0.4,
0.2
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[
19,
19,
19,
19,
33,
33,
33,
33,
46,
46
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| 3
| 0
|
[
0,
0,
0
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[
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data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/4612/MD_5134606907514968919424612.json
| null |
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PO_4370333083644280540769391
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| 2025-04-16T18:28:43
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -29.849736
|
[] |
[] | null | 1.0344
|
unknown
| null | null | null | null | null | null |
CO_1029885006852056966381167
|
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[
true,
true,
true
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CCl2Lu2
|
CCl2Lu2
|
A2B2C
|
[
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"Cl",
"Lu"
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[
0.2,
0.4,
0.4
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[
71,
71,
6,
17,
17
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| 3
| 0
|
[
0,
0,
0
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[
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data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/6823/MD_7564976634721955042676823.json
| null |
{"exfoliation_energy_per_atom": 0.04160790999999975, "material_id": "2dm-4733", "source_id": "mp-573376", "total_magnetization": 0.0, "hash": "7564976634721955042676823097365643603250077509753029034790302498777735168234272967236676289941427698004999996356526371453040478698030628528758941486548273", "id": "MD_7564976634721955042676823"}
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PO_4353669898881500779048828
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| 2025-04-16T17:29:10
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -153.724129
|
[] |
[] | null | 0.5693
|
unknown
| null | null | null | null | null | null |
CO_7315872547377166091483036
|
7315872547377166091483036032354062122552801067383015794707823844839721267608532269304949691951315683244158946833460087601511499320994703685558268921420977
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[
true,
true,
true
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B18S9
|
B2S
|
A2B
|
[
"B",
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[
0.6666666666666666,
0.3333333333333333
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5,
5,
5,
5,
5,
5,
16,
16,
16,
16,
16,
16,
16,
16,
16
] | 27
| 2
| 0
|
[
0,
0,
0
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[
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data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/1167/MD_8260854170654510333631167.json
| null |
{"exfoliation_energy_per_atom": -0.09908080592592672, "material_id": "2dm-1887", "source_id": "mp-556516", "total_magnetization": 0.0, "hash": "8260854170654510333631167748885262855630178747017131079087884483521625240069459078540929726558542042921138287750036368052192851017895287683548044743731400", "id": "MD_8260854170654510333631167"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4353158237840176720131500
|
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| 2025-04-16T19:03:17
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -19.606463
|
[] |
[] | null | 0.0222
|
unknown
| null | null | null | null | null | null |
CO_1250220578090953132355855
|
12502205780909531323558556443673290334634552719323349305517854866831943820794616448343774714868802951048050198003592859610842452877947882765000879203946034
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0
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0
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[
0,
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24.79164
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[
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[
2.7033810867124,
1.5607953292031,
7.282345916880001
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] |
[
true,
true,
true
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I3Np
|
I3Np
|
A3B
|
[
"I",
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] |
[
0.75,
0.25
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[
93,
53,
53,
53
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| 2
| 0
|
[
0,
0,
0
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[
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data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/7763/MD_3293089769868944140867763.json
| null |
{"material_id": "2dm-1193", "source_id": "mp-14107", "total_magnetization": 4.0004058, "hash": "3293089769868944140867763627467916754903801958679648426100543879352500776677668086084460489338367917996374036999029067562634906127734479455088426763331769", "id": "MD_3293089769868944140867763"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4355037608405900016972584
|
4355037608405900016972584660978923236709547542422305869441555685220730899589584993274616798204643794945558840736549903652975109945387613792697784569994858
| 2025-04-16T15:44:14
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -33.954083
|
[] |
[] | null | 0.9075
|
unknown
| null | null | null | null | null | null |
CO_1285836445116017043548004
|
12858364451160170435480041914634638631366265596712632688399315001675291854134510799920770138456175378149674974320659060648740034326376280794610840018318674
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|
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0
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[
3.28708732,
5.69340241,
0
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[
0,
0,
22.768399
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[
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4.46452644625493,
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12.771054558848599
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[
true,
true,
true
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Ag2Cl6Re
|
Ag2Cl6Re
|
A6B2C
|
[
"Ag",
"Cl",
"Re"
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[
0.2222222222222222,
0.6666666666666666,
0.1111111111111111
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[
75,
47,
47,
17,
17,
17,
17,
17,
17
] | 9
| 3
| 0
|
[
0,
0,
0
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[
"twodmatpd_5482"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/0553/MD_2363600278570163130260553.json
| null |
{"exfoliation_energy_per_atom": 0.08699982222222191, "material_id": "2dm-5493", "source_id": "mp-23472", "total_magnetization": 2.999236, "hash": "2363600278570163130260553928461885256086229173557117574129647264532601822160609042734360722270627726543410607608175322598795115993496452040075195048520999", "id": "MD_2363600278570163130260553"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4352535814794614194819782
|
4352535814794614194819782010324229847806512843596862268465887568530443507855236268129443318211087484986051118091652467381317150863035701274810495875413800
| 2025-04-16T18:45:21
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -9.115208
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_2766023948434146128494445
|
2766023948434146128494445544979973552250085222376678364598722654089505166578283086057675059563084858755694201437627058918964433104975430438639165583087534
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|
[
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[
0.00008,
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20.769747
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[
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5.952692235899
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[
0.000028113464,
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6.318883978514999
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] |
[
true,
true,
true
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CPb
|
CPb
|
AB
|
[
"C",
"Pb"
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[
0.5,
0.5
] |
[
82,
6
] | 2
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_2867"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/1404/MD_4016392939055355550221404.json
| null |
{"material_id": "2dm-2878", "source_id": "mp-995181", "total_magnetization": -1.7e-06, "hash": "4016392939055355550221404523898119832170026413341354320168117087320766457387975890692248842659142561412502278683670365927980854941812006734377153557536390", "id": "MD_4016392939055355550221404"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4356438277323036544467137
|
4356438277323036544467137705903047470661772650585335352844607966324023610699714486420072555275358240094119228384049793951654797077359637539805816675221980
| 2025-04-16T21:29:37
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -111.798612
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_2703396134533294071548865
|
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[
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0
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[
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23.785746
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[
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[
true,
true,
true
] |
C12Na
|
C12Na
|
A12B
|
[
"C",
"Na"
] |
[
0.9230769230769231,
0.07692307692307693
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[
11,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | 13
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_6014"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/5838/MD_2363589791301304525105838.json
| null |
{"material_id": "2dm-6027", "source_id": "mp-1021323", "total_magnetization": 1.36e-05, "hash": "2363589791301304525105838772445438481455686501799245724542111049401628459818560764800075593521927655608366246980487678010154763267184396343554620192337801", "id": "MD_2363589791301304525105838"}
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{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4356600955747472263174344
|
4356600955747472263174344111888478042420356523553885827532866195831157363998806583110154022911833626966740377410382984133959208501013725752918129568675743
| 2025-04-16T15:09:28
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -146.277416
|
[] |
[] | null | 0.0377
|
unknown
| null | null | null | null | null | null |
CO_1629056989097952474555883
|
1629056989097952474555883313480108428907754680555823671479761111917775598715463975712618057092407170863137182994178313893610463102391026892965114239064695
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0.00759852,
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[
5.497692459989668,
7.959712012916866,
12.096528692028814
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[
true,
true,
true
] |
Co8O18Zn2
|
Co4O9Zn
|
A9B4C
|
[
"Co",
"O",
"Zn"
] |
[
0.2857142857142857,
0.6428571428571429,
0.07142857142857142
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[
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27,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 28
| 3
| 0
|
[
0,
0,
0
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[
"twodmatpd_5434"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/2200/MD_9937205527611442426372200.json
| null |
{"exfoliation_energy_per_atom": 0.12845119678571404, "material_id": "2dm-5445", "source_id": "mvc-10548", "total_magnetization": 30.338729, "hash": "9937205527611442426372200961859246878318203812918485456829094341044955625606478216621212084270865106186567786496673704328315755396588863300861235064589399", "id": "MD_9937205527611442426372200"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4374553063274567840312923
|
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| 2025-04-16T16:26:20
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -102.482785
|
[] |
[] | null | 3.1448
|
unknown
| null | null | null | null | null | null |
CO_7070076900360916266324366
|
7070076900360916266324366356072891703003131318330489205384787242587400645231025252909337804459162663576005278008720195134606460653904424558950509190018561
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[
1.377213861816,
1.170460988402,
22.910364292111
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[
true,
true,
true
] |
Cl16Th4
|
Cl4Th
|
A4B
|
[
"Cl",
"Th"
] |
[
0.8,
0.2
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[
90,
90,
90,
90,
17,
17,
17,
17,
17,
17,
17,
17,
17,
17,
17,
17,
17,
17,
17,
17
] | 20
| 2
| 0
|
[
0,
0,
0
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[
"twodmatpd_644"
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data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/7259/MD_1047413285082543639367259.json
| null |
{"exfoliation_energy_per_atom": 0.07177241149999958, "material_id": "2dm-651", "source_id": "mp-27697", "total_magnetization": -0.0, "hash": "10474132850825436393672596193197793530930521797535710505725054167198299932353496785721694904886080136759051499649678631772467902724607379595558484199579552", "id": "MD_1047413285082543639367259"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4367554657892089118536576
|
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| 2025-04-16T17:14:02
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -43.887821
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_1130037514644228828772472
|
11300375146442288287724727966610164205825463710434680256942073920179377729851467688172259167179780271832792552784559891194511462015210244037771107240591402
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3.5212302,
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[
-0.00002475,
9.1e-7,
27.542022
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[
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2.0329988027031227,
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8.93675129538444
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[
4.065966530655187,
-0.0000135759797341,
6.179169895182609
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] |
[
true,
true,
true
] |
Os3Te4
|
Os3Te4
|
A4B3
|
[
"Os",
"Te"
] |
[
0.42857142857142855,
0.5714285714285714
] |
[
52,
52,
52,
52,
76,
76,
76
] | 7
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_2740"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/9343/MD_7252283333173183701589343.json
| null |
{"material_id": "2dm-2751", "source_id": "mp-7096", "total_magnetization": -0.0835514, "hash": "7252283333173183701589343939772099367998090692755509127601751721248598683583301262901635892463505034572627176929975951305293752261847370175970150052590831", "id": "MD_7252283333173183701589343"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4367356631334599814141847
|
4367356631334599814141847667475492523161078149492724298129589559755807827492186613788934560737137926715596696846759682020537061359783062221502805394972369
| 2025-04-16T17:55:33
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -18.100109
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_8065554194277071697497746
|
8065554194277071697497746445881110414948691239014164795294369707742470540282124717542096035802370654863452725692221059939829857386939194337473624074309785
|
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0
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[
0,
6.3711,
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[
0,
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22.828337
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[
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0,
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1.3163376934820001
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[
0,
3.2227350897150004,
1.316808306261
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] |
[
true,
true,
true
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Ag2Te4
|
AgTe2
|
A2B
|
[
"Ag",
"Te"
] |
[
0.3333333333333333,
0.6666666666666666
] |
[
47,
47,
52,
52,
52,
52
] | 6
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_2343"
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data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/7690/MD_6099342325645361513087690.json
| null |
{"exfoliation_energy_per_atom": -0.05341196166666662, "material_id": "2dm-2350", "source_id": "mp-850099", "total_magnetization": -1.2e-06, "hash": "6099342325645361513087690089063373708051549366072892475024865086771287746001184205991967468575613013494928678919936081059485596782469515102567411723460903", "id": "MD_6099342325645361513087690"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4372253010500997064433898
|
4372253010500997064433898446828672596343679420448525638167290010783895459054213003596331492243344573355241171042069037603433244974618938719495480256596451
| 2025-04-16T20:04:52
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -18.381169
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_2708222645596392826599741
|
270822264559639282659974119514177052128198853728802790877847777241864130713382290962441778179296481608820758654435832465623493898390343813223566910595852
|
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[
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0
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[
0,
3.08273752,
0
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[
0,
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27.017986
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[
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[
0,
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[
1.54136876,
0,
10.066009990062
],
[
0,
1.54136876,
16.951976009938
]
] |
[
true,
true,
true
] |
Cd2Zr2
|
CdZr
|
AB
|
[
"Cd",
"Zr"
] |
[
0.5,
0.5
] |
[
40,
40,
48,
48
] | 4
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_3120"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/4095/MD_1306942797250618199354095.json
| null |
{"exfoliation_energy_per_atom": 0.30617703750000036, "material_id": "2dm-3131", "source_id": "mp-1017540", "total_magnetization": -0.0001514, "hash": "13069427972506181993540954115324338446498184668165647668258137790610815018146964872273949360736096600844725942891489012916793961591683692001844223253394009", "id": "MD_1306942797250618199354095"}
|
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|
PO_4364724309038586579970739
|
436472430903858657997073940248251392197745082960676612791751087020520658252823928797573143325641029613910234677426324028382337991916218587301140270889078
| 2025-04-16T18:34:37
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -77.134397
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_2785213572833585213105520
|
2785213572833585213105520753857173367531911196583914401224501985884794248537307777710470575436044098561200101641509302392281677306361029182938395592126732
|
7261837434952527246134413015304712412635561006220321111089151223646189519236674483202646540495673799036013804639953266950157034601119480822332903870947354
|
[
[
3.57083466,
0,
0
],
[
0,
13.19371766,
-0.90874615
],
[
0,
-0.09990913,
27.00900141
]
] |
[
[
2.6781259950000003,
0.8140027575087658,
6.811072152919002
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[
0.892708665,
12.314711324966725,
9.852967257465068
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[
2.6781259950000003,
8.650546576884157,
7.579476668475722
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[
0.892708665,
4.4781674056822025,
9.084589750909759
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[
2.6781259950000003,
11.736860173953193,
7.808248372177051
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[
0.892708665,
1.3918406148955078,
8.855818955954579
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[
2.6781259950000003,
0.8339039519929226,
12.072450235736802
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[
0.892708665,
12.294810030573437,
4.591616183648677
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[
0.892708665,
6.590481484299037,
6.937313809256415
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[
2.6781259950000003,
6.538232498267324,
9.726752610129065
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[
0.892708665,
9.439693816906358,
9.56727466737802
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[
2.6781259950000003,
3.689020265569132,
7.09676474300605
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[
0.892708665,
1.8633640903028923,
4.9116523669357415
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[
2.6781259950000003,
11.265349892263467,
11.752414052449737
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[
0.892708665,
9.347091362591058,
5.6047408625717665
],
[
2.6781259950000003,
3.781622619975302,
11.059325556813715
]
] |
[
true,
true,
true
] |
Te12V4
|
Te3V
|
A3B
|
[
"Te",
"V"
] |
[
0.75,
0.25
] |
[
23,
23,
23,
23,
52,
52,
52,
52,
52,
52,
52,
52,
52,
52,
52,
52
] | 16
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_878"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/0736/MD_9295147849028285822160736.json
| null |
{"exfoliation_energy_per_atom": 0.08684995937500029, "material_id": "2dm-885", "source_id": "mp-29652", "total_magnetization": 1.64e-05, "hash": "9295147849028285822160736462103868334288147062683851880094531660182284799129894831722445534094785483547403169249250203411558098124106996592408085625247069", "id": "MD_9295147849028285822160736"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4364300940675595962957351
|
4364300940675595962957351459621927616013310646939490367732495691193870441832046633893660086517187658410207178029257624502385906051634604088419588524629432
| 2025-04-16T21:57:13
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -10.473661
|
[] |
[] | null | 0.1187
|
unknown
| null | null | null | null | null | null |
CO_5388821146571145433735950
|
5388821146571145433735950226153895678228856837192963667260216530614087387764664950721329235342135776157010471996412715724385620522770014431049033198405132
|
4308821958629431287812937200966187633976657961970635961762178190938834394688717234149964551144126478181152018217186770700292602310624650789503980949315936
|
[
[
5.11286977,
0,
0
],
[
0,
5.11608419,
0
],
[
0,
0,
22.353476
]
] |
[
[
0,
2.558042095,
9.8377457871454
],
[
0,
0,
13.054142294763881
],
[
2.556434885,
0,
9.86500495698836
],
[
2.556434885,
2.558042095,
11.95005896110236
]
] |
[
true,
true,
true
] |
Ba3Si
|
Ba3Si
|
A3B
|
[
"Ba",
"Si"
] |
[
0.75,
0.25
] |
[
56,
56,
56,
14
] | 4
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_6047"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/8274/MD_3707683742427065205638274.json
| null |
{"material_id": "2dm-6061", "source_id": "mp-1016240", "total_magnetization": -2.12e-05, "hash": "3707683742427065205638274041191010644679607945307350395051949939552178353234402564618032548647406540290937104146854652404260440719435916706812061739850599", "id": "MD_3707683742427065205638274"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4364081097178657204321674
|
4364081097178657204321674780799003666626419121584077004898413641308893769446083897022298215590883511510107436616904440667189167036108697719444932945431072
| 2025-04-16T21:21:56
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -43.539016
|
[] |
[] | null | 4.6172
|
unknown
| null | null | null | null | null | null |
CO_2833910149064763431618092
|
2833910149064763431618092562961946423016956229258434847673652345572549922732650560500459775109054085676614348283438363199104159444255298479659495483203200
|
11182420601656255960670629642527531247133162060149478378744468379239501626076432402512407781598892296584407562399846644609183243378320598150222925565598701
|
[
[
3.84294094,
0,
0
],
[
0,
3.84294094,
0
],
[
0,
0,
25.642222
]
] |
[
[
1.92147047,
0,
11.66885390716354
],
[
0,
1.92147047,
13.97336809283646
],
[
1.92147047,
0,
15.63292141809878
],
[
0,
1.92147047,
10.00930058190122
],
[
0,
0,
12.821111
],
[
1.92147047,
1.92147047,
12.821111
]
] |
[
true,
true,
true
] |
Br2O2Y2
|
BrOY
|
ABC
|
[
"Br",
"O",
"Y"
] |
[
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] |
[
39,
39,
35,
35,
8,
8
] | 6
| 3
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_4835"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/6870/MD_1091971537416917446126870.json
| null |
{"exfoliation_energy_per_atom": 0.049961201666667954, "material_id": "2dm-4846", "source_id": "mp-768906", "total_magnetization": 0.0, "hash": "10919715374169174461268704581889878424393555593251154704956619182503653795248289255349202753709515482837189919382344712031729933637568546145752115168266454", "id": "MD_1091971537416917446126870"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4364064858773318499475045
|
436406485877331849947504512059228937396642756450909919103429130501243798467585123675355964281674997266194229823941488159290265859307054674834634677800080
| 2025-04-16T21:51:46
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -67.564619
|
[] |
[] | null | 0.0191
|
unknown
| null | null | null | null | null | null |
CO_5882360275653616739331672
|
5882360275653616739331672637910764633611121211181483000588421498111214791607940538113744048872791908573579601791114027977119226662435659641002085021512769
|
5212547596959002034681100664445605064969646788369510398430879224001332835034808611819696578004298656334663825207947181060689650041470591742392968760399222
|
[
[
5.46361533,
0,
-0.06392245
],
[
0,
6.68065899,
0
],
[
-0.26808607,
0,
21.21439769
]
] |
[
[
3.928568575502936,
2.5823452663240953,
10.753464988348592
],
[
3.9987683494970634,
5.922674761324095,
10.365049026651409
],
[
1.2669606844970638,
4.098313723675906,
10.397010251651409
],
[
1.196760910502936,
0.7579842286759051,
10.785426213348591
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[
2.1514245587324177,
2.1828936338292677,
8.928834190831013
],
[
0.3122970362675821,
5.523223128829268,
12.253602274168987
],
[
3.0441047012675817,
4.497765356170733,
12.221641049168987
],
[
4.883232223732418,
1.1574358611707327,
8.896872965831014
],
[
0.12387190621143059,
2.7812514659233205,
12.376687852826798
],
[
2.339849688788569,
6.121580960923321,
8.805748612173202
],
[
5.071657353788569,
3.89940752407668,
8.7737873871732
],
[
2.8556795712114305,
0.5590780290766795,
12.344726627826798
],
[
2.114698866048616,
2.3434740285148914,
9.896703764097316
],
[
0.3490227289513836,
5.683803523514891,
11.285732700902683
],
[
3.0808303939513833,
4.337184961485109,
11.253771475902683
],
[
4.846506531048616,
0.9968554664851086,
9.864742539097316
]
] |
[
true,
true,
true
] |
H4Cl4Cu4O4
|
ClCuHO
|
ABCD
|
[
"Cl",
"Cu",
"H",
"O"
] |
[
0.25,
0.25,
0.25,
0.25
] |
[
29,
29,
29,
29,
1,
1,
1,
1,
17,
17,
17,
17,
8,
8,
8,
8
] | 16
| 4
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_5246"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/1655/MD_9692166979108921211781655.json
| null |
{"exfoliation_energy_per_atom": 0.08258877562500011, "material_id": "2dm-5257", "source_id": "mp-643743", "total_magnetization": 3.9999629, "hash": "9692166979108921211781655749720058572338787084894104336639000319913827406632876111275911502911327753871330225237274097278720075450005123371309600671314890", "id": "MD_9692166979108921211781655"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4402433261980622411325139
|
4402433261980622411325139667642915244002555657728210770090660830709291639861638815861733633148037633778708877043930031022566381177680242678877120942307087
| 2025-04-16T16:07:10
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -14.941418
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_4817443505910660136465135
|
4817443505910660136465135669179213146181317813743571539096160625614287803368668517651837227424701908684304451935900831475177602946974289210933395585679082
|
8598308936811970143979101028170456901753448384846162613737273470568047381087812085928553048206054498216414472012347457776548356746990770640468739914838803
|
[
[
2.802438,
0,
0
],
[
0,
2.802438,
0
],
[
0,
0,
22.883476
]
] |
[
[
0,
0,
11.125694312964
],
[
0,
0,
8.839932545752001
],
[
1.401219,
1.401219,
9.982824871096001
]
] |
[
true,
true,
true
] |
Be2Rh
|
Be2Rh
|
A2B
|
[
"Be",
"Rh"
] |
[
0.6666666666666666,
0.3333333333333333
] |
[
4,
4,
45
] | 3
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_1485"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/1096/MD_5886089387041593950151096.json
| null |
{"exfoliation_energy_per_atom": 0.49955375999999996, "material_id": "2dm-1494", "source_id": "mp-12693", "total_magnetization": -4.9e-06, "hash": "5886089387041593950151096221054221565793028643808813380402968838420050658307011164583480398374410861158613791328147669182639315299238382206762675533911782", "id": "MD_5886089387041593950151096"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4395256427400140524576167
|
4395256427400140524576167447951111994689173276525576788890505928850118997176499686182174240056799109586282931524003701208585159134241740344285213171780896
| 2025-04-16T20:21:52
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -20.319706
|
[] |
[] | null | 3.6422
|
unknown
| null | null | null | null | null | null |
CO_1277829244774338902011153
|
12778292447743389020111534708907336279997230522117984422555518790938941939461125887976552132539088222368612199995298481202398360705649151133075451610560966
|
4324434335641284470379459245536614559871595087237057744064741134752885705532340207402802459389379065468778533227432905489309140795506445450936865831547674
|
[
[
3.80964082,
0,
0
],
[
-1.90482041,
3.29924583,
0
],
[
0,
0,
23.451387
]
] |
[
[
1.9048223148204098,
1.0997475102513898,
12.0991216608945
],
[
0,
0,
10.09112643228099
],
[
-0.0000019048204101390924,
2.19949831974861,
13.64925763805289
],
[
0,
0,
11.063268034257751
]
] |
[
true,
true,
true
] |
HCaClO
|
CaClHO
|
ABCD
|
[
"Ca",
"Cl",
"H",
"O"
] |
[
0.25,
0.25,
0.25,
0.25
] |
[
20,
1,
17,
8
] | 4
| 4
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_4546"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/4125/MD_1279601376166974216674125.json
| null |
{"exfoliation_energy_per_atom": 0.16274598625000003, "material_id": "2dm-4557", "source_id": "mp-642725", "total_magnetization": -0.0, "hash": "12796013761669742166741258882186464069955648091869332305023476826093954044815785052902729506934879581796333014511324821188717889014730297736474651027408800", "id": "MD_1279601376166974216674125"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4396800358319632022627109
|
4396800358319632022627109517677000366882963667290690877818865856729463708089747295663208396114245810058701342713462114794006587808077437377511008663732134
| 2025-04-16T20:29:58
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -15.884447
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_2809422812888243452528882
|
2809422812888243452528882364618339923878573903355159204964592380735172017713184112337299943670812206854818483128210309366679059434108315371703194731776108
|
3355551126821640104688536639311630199816904326005273220777434044174070796331912446225554155589180055012699567870918050886148190733531623996350777400664646
|
[
[
4.42166832,
0,
0
],
[
0,
4.54224258,
0
],
[
0,
0,
23.344567
]
] |
[
[
3.31625124,
3.5740423618001516,
12.823373517387232
],
[
1.10541708,
1.6281110740621176,
13.348065071496551
],
[
3.31625124,
2.9141315059378825,
9.99650192850345
],
[
1.10541708,
0.9682002181998486,
10.521193482612771
]
] |
[
true,
true,
true
] |
Sb4
|
Sb
|
A
|
[
"Sb"
] |
[
1
] |
[
51,
51,
51,
51
] | 4
| 1
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_4264"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/5657/MD_4473415266905411300725657.json
| null |
{"exfoliation_energy_per_atom": 0.14928336749999982, "material_id": "2dm-4275", "source_id": "mp-567409", "total_magnetization": 0.0, "hash": "4473415266905411300725657213175098186346310096098129256836775170548028128374237491265557190267919810551611896505186340319270971700309983889955789147379423", "id": "MD_4473415266905411300725657"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4397949211776445575651358
|
439794921177644557565135849644293127974536797737993230000620977662410408762111955069127131384003408283072959040495885051681856208436952204750331181421923
| 2025-04-16T18:49:16
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -3.524481
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_5727596750349192444397072
|
5727596750349192444397072541663715555686477826626341559121173130040634421999481268513578272631653419839099796564993084179491056185449449399460234507089204
|
1712077423782194560194282320060338138169759836776403442865615983514368685987746829771513725694283792325179305652563572024355139787838230150539972973917510
|
[
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0,
0
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[
-1.90381117,
3.29749755,
0
],
[
0,
0,
25.948554
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] |
[
[
1.9038130738111703,
1.09916475083415,
12.974277
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[
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2.19833279916585,
10.14240205856766
],
[
-0.000001903811169974463,
2.19833279916585,
15.806151941432342
]
] |
[
true,
true,
true
] |
Mg2Sr
|
Mg2Sr
|
A2B
|
[
"Mg",
"Sr"
] |
[
0.6666666666666666,
0.3333333333333333
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[
38,
12,
12
] | 3
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_3102"
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data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/3085/MD_1061297486877647702333085.json
| null |
{"exfoliation_energy_per_atom": 0.30229365500000005, "material_id": "2dm-3113", "source_id": "mp-1094457", "total_magnetization": 6.7e-06, "hash": "10612974868776477023330852222125994612487620074741627335339179845793170515919578553481367257087557185272424677297490859807967992886441984362664197606896561", "id": "MD_1061297486877647702333085"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4397673614737622440035773
|
439767361473762244003577308649791526689497241818219266828076469913228967719830275962192214739461213318921835384847774920301048551575061840433133199063879
| 2025-04-16T20:48:22
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -32.190851
|
[] |
[] | null | 1.9922
|
unknown
| null | null | null | null | null | null |
CO_5403616024620851726376025
|
5403616024620851726376025551211920940121979736932119334452978205346214441684271484766648287919134578783290977886701237570703054678664177249108248220963079
|
10043720689774134376974096684225035757459135302862545697665576365221673363390017219173238761211724123260286218878611880949111212072506020654657730715597410
|
[
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0,
0
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[
0,
6.32742206,
0
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[
0,
0,
24.445888
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] |
[
[
0.8714292293685576,
5.99506795215066,
13.42343291236288
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[
2.3335330993685575,
0.3323541078493394,
11.02245508763712
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[
0.8742369659142734,
3.3111011136265516,
10.92633483385664
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2.336340835914273,
3.0163209463734484,
13.51955316614336
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10.26680286557376
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[
2.330713256602798,
0.9902495882160162,
12.936690103018242
]
] |
[
true,
true,
true
] |
Ag2F4Li2
|
AgF2Li
|
A2BC
|
[
"Ag",
"F",
"Li"
] |
[
0.25,
0.5,
0.25
] |
[
3,
3,
47,
47,
9,
9,
9,
9
] | 8
| 3
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_4991"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/2513/MD_2759325997763018818372513.json
| null |
{"material_id": "2dm-5002", "source_id": "mp-759658", "total_magnetization": -0.0, "hash": "2759325997763018818372513264309596328359526166781301227725802791665926856434737019177171377236923966927107432463585062469598082637933282939032584564351900", "id": "MD_2759325997763018818372513"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4399775546629343096461469
|
4399775546629343096461469377013140979984583594556399542484756775693157934310281223791089197529779053805590964847025011505759642611221754227586591791219527
| 2025-04-16T16:50:51
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -12.132234
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_9150989710625289968894283
|
9150989710625289968894283675544862651318638897822047946679835479507425527805850340550383315703360785772722468609376368265938389146587690039604608314700842
|
1343171268242517547410480101219315849186011143865178264974296311926069157886972837321675153459103707395951262584841104308511506135662790619500340680230586
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[
[
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0,
0
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[
-2.34642722,
4.06413119,
0
],
[
0,
0,
24.159589
]
] |
[
[
0,
0,
17.878357749944758
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[
0,
0,
14.60727792835824
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[
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2.70942214804373,
16.242805759357
],
[
2.3464295597605496,
1.3547090419562702,
16.242805759357
]
] |
[
true,
true,
true
] |
Au2Ca2
|
AuCa
|
AB
|
[
"Au",
"Ca"
] |
[
0.5,
0.5
] |
[
20,
20,
79,
79
] | 4
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_156"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/1314/MD_5299943008624234441751314.json
| null |
{"exfoliation_energy_per_atom": 0.21897611000000006, "material_id": "2dm-159", "source_id": "mp-30428", "total_magnetization": 0.0006076, "hash": "5299943008624234441751314288752833847543515099947216902961659120430574126991359379848475633000422605860645523504364514883398346798782092333193215986373091", "id": "MD_5299943008624234441751314"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4386504062073961428743838
|
43865040620739614287438381178358566181905530788636471381777468527816971603282877736093430326394456936130909235879834405801141834741044311174470785780334
| 2025-04-16T16:52:33
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -14.109783
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_2907809245182490072218075
|
2907809245182490072218075260846052556689655184719895508505890744773724365933555378200238622603837594786103187895406643902058956039626761630350441233269987
|
7721300178905628630230232413461150296361744604278603209062117295324202946459565340916904231753251092831065205131983142208995083335135976674876779304310543
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[
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0,
0
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[
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2.735877,
0
],
[
0,
0,
22.668984
]
] |
[
[
0,
0,
0
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[
-0.00000191289300004552,
1.823918911959,
0.9678976098479999
],
[
1.5795609128930002,
0.911958088041,
21.701086390152
]
] |
[
true,
true,
true
] |
CoF2
|
CoF2
|
A2B
|
[
"Co",
"F"
] |
[
0.3333333333333333,
0.6666666666666666
] |
[
27,
9,
9
] | 3
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_1487"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/8548/MD_4122029095508832249988548.json
| null |
{"exfoliation_energy_per_atom": 0.06069351999999961, "material_id": "2dm-1496", "source_id": "mp-23240", "total_magnetization": 3.0001131, "hash": "4122029095508832249988548001438333388670012510044398912973260785864833222923058598196291379067292163088260634093415401170955254375701011553711832058496564", "id": "MD_4122029095508832249988548"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4386841477738212669434897
|
4386841477738212669434897229424738744319234055693654705731032730194909955957759378620644220907183718731982703163284597086884707370875759679291604234401897
| 2025-04-16T15:14:08
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -20.805293
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_3278974822992166241601501
|
327897482299216624160150155272851523848303245565374086335305033220571073385960391555343955927244885032261144212921766182913454674832843804511484285011533
|
3532522273178885118550065383262986626194675950329926807428020906814594207407773941304124485220128889288502355935024047502081820604980158557348057327274346
|
[
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3.54585051,
0,
0
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[
0,
3.6976926,
0.00048283
],
[
0,
0.00302745,
23.36389475
]
] |
[
[
0,
0.001513725,
11.681947375
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[
1.772925255,
3.6989780209678966,
13.317785259628495
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[
1.772925255,
0.0017420290321035,
10.046592320371504
],
[
0,
1.8503600249999999,
11.68218879
]
] |
[
true,
true,
true
] |
Cl2ORu
|
Cl2ORu
|
A2BC
|
[
"Cl",
"O",
"Ru"
] |
[
0.5,
0.25,
0.25
] |
[
44,
17,
17,
8
] | 4
| 3
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_3663"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/2525/MD_7017688470542440104822525.json
| null |
{"exfoliation_energy_per_atom": 0.06467301500000033, "material_id": "2dm-3674", "source_id": "mp-29132", "total_magnetization": -1.26e-05, "hash": "7017688470542440104822525420078967313401057059215772142960900590463368597012968871662936890084454913063108972253269592366993115164186177016763393280807225", "id": "MD_7017688470542440104822525"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4386570897801747427542569
|
4386570897801747427542569684780765545689989821499070653184928516570608935251227722247444519847574323803408821797462306798587847471003453551300609867066987
| 2025-04-16T18:49:01
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -6.015009
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_6288961438062797422752160
|
6288961438062797422752160355461702204923309458412330560600875846473856423724756940614917080470140580447912113743503477379276747328495341588661352964637981
|
599709367663405586660554158517134746763616646053758580747595435657752729466847896773977810217385544425152887315518714587650438660006870221162231551065424
|
[
[
4.565042,
0.000042,
-0.000001
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[
-2.282492,
3.953489,
0.000001
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[
-0.000003,
0.000004,
20
]
] |
[
[
-0.0001735532349999279,
2.6358540988479997,
7.707460333398
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[
-2.2823037081210003,
3.9533126352049996,
7.707060999936
]
] |
[
true,
true,
true
] |
AsTl
|
AsTl
|
AB
|
[
"As",
"Tl"
] |
[
0.5,
0.5
] |
[
81,
33
] | 2
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_1994"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/2001/MD_1331944114842889475642001.json
| null |
{"material_id": "2dm-6429", "source_id": "mp-7991", "total_magnetization": 0.034674, "hash": "1331944114842889475642001058733859443645753185233363523333933090138966642808598700035149368266144105375830029590136659533657581897841912659424172760631993", "id": "MD_1331944114842889475642001"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4384190413895442487163966
|
4384190413895442487163966137160254381564335256844297189667397393603114486085548054043102071091564193199039931586609705912271409695475108985302095987159739
| 2025-04-16T21:57:13
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -3.404259
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_4294115685010247525574358
|
4294115685010247525574358845629838744190498770640376081527100909810136621947259696595079976206102737372736750765146297068942416426961774297256955574276921
|
4592347538626462946038036446677666181425814051042329434438950252207293210531551603390565573243137242846858924218295775739909423724985446665784589335906768
|
[
[
4.04560358,
0,
-0.24362748
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[
0,
2.68590206,
0
],
[
-2.88460628,
0,
25.92033831
]
] |
[
[
0.3752493055662421,
0.671475515,
3.1289194693583884
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[
2.5113800478616373,
2.014426545,
7.0417006564951015
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[
2.2517163967725384,
0.671475515,
0.6015109047456366
],
[
0.6349100720490611,
2.014426545,
9.569135141446164
]
] |
[
true,
true,
true
] |
Be2K2
|
BeK
|
AB
|
[
"Be",
"K"
] |
[
0.5,
0.5
] |
[
19,
19,
4,
4
] | 4
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_2401"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/8300/MD_2299113096185869684268300.json
| null |
{"exfoliation_energy_per_atom": 0.7994022325, "material_id": "2dm-2408", "source_id": "mp-1001825", "total_magnetization": -2.6e-06, "hash": "2299113096185869684268300976823999894613254419020258334714520258406824885332372696029150022475743930990354724823483226064250625604885237724101820137023924", "id": "MD_2299113096185869684268300"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4383519365252101262769638
|
4383519365252101262769638106496480732113341275631874811746658754698832805828699999942642869191359649038248681275664710856111736954326491820838811418881079
| 2025-04-16T20:29:09
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -159.490438
|
[] |
[] | null | 1.2496
|
unknown
| null | null | null | null | null | null |
CO_2471473543146983710958803
|
2471473543146983710958803641721578585425489170972957309850039175395358451943672215828056653001096642195990892055455735266565757382888157224412561433083096
|
6787284866755090532331152349023376071660980663219475104559700274700790961914218153540674039238357606371530633950114772204967538125691804690610102385055653
|
[
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5.04589576,
0,
0
],
[
0,
9.09808715,
0
],
[
0,
0,
29.107731
]
] |
[
[
2.991727288839813,
4.799294104453955,
13.124486416571191
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[
4.663902478399942,
5.937864576868327,
17.74938381419826
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14.872056952503812
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[
true,
true,
true
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O20Sb8
|
O5Sb2
|
A5B2
|
[
"O",
"Sb"
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[
0.7142857142857143,
0.2857142857142857
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51,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 28
| 2
| 0
|
[
0,
0,
0
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[
"twodmatpd_5389"
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data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/1047/MD_5269500505125598088381047.json
| null |
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PO_4383386977969246116176457
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| 2025-04-16T21:51:46
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -23.341431
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_5130750155994842051107698
|
5130750155994842051107698182018049398824259616949555709955761350066651607481793832235705258511980569951380777028688607648834687812428606574768744485772514
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2.005424817472,
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[
true,
true,
true
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Sc2Te2
|
ScTe
|
AB
|
[
"Sc",
"Te"
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[
0.5,
0.5
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[
21,
21,
52,
52
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| 2
| 0
|
[
0,
0,
0
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[
"twodmatpd_2451"
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data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/8050/MD_1053282666385302447328050.json
| null |
{"exfoliation_energy_per_atom": 0.009808092500000143, "material_id": "2dm-2461", "source_id": "mp-22562", "total_magnetization": -0.0014489, "hash": "10532826663853024473280502127070893981252056724234916899648544021514451765574671750413419385569539751374803707446143201273529707716716286765101617527209546", "id": "MD_1053282666385302447328050"}
|
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|
PO_4390824626407128675401424
|
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| 2025-04-17T18:48:22
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -11.976784
|
[] |
[] | null | 0.648
|
unknown
| null | null | null | null | null | null |
CO_1975860026469483092271883
|
1975860026469483092271883436375218763223421509952288145276549001817755417673296880978145513383308921262871307161752529770048966477077261288550638149991550
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0
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[
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0
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[
0,
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22.803068
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[
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[
1.68619545619451,
0.97352365980864,
21.743653650898278
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[
true,
true,
true
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F2Pd
|
F2Pd
|
A2B
|
[
"F",
"Pd"
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[
0.6666666666666666,
0.3333333333333333
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[
46,
9,
9
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| 2
| 0
|
[
0,
0,
0
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[
"twodmatpd_107"
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data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/1169/MD_1559021650680171547801169.json
| null |
{"exfoliation_energy_per_atom": 0.08189235999999944, "material_id": "2dm-109", "source_id": "mp-27637", "total_magnetization": 2.0003202, "hash": "1559021650680171547801169202534012020861002143890231090081020797966519059009268982746326000792672720209676835072366002298250280763177598257443907282086624", "id": "MD_1559021650680171547801169"}
|
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|
PO_4378695711518773582542750
|
4378695711518773582542750512029141583479923863504121379474868696060133734942383267344676929488827866855806024312954610710387579220420087183030381754311438
| 2025-04-16T21:09:01
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -25.292593
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_2247560550770177469588471
|
224756055077017746958847169236139281892272453992430164310345595715480407283903753190209217525463737900416508208945871223256488598638155373526100962068556
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0
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0
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0,
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23.448734
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[
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1.8416,
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0
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[
1.8416,
0,
21.459366856174
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[
0,
1.8416,
1.989367143826
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[
true,
true,
true
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Te2V2
|
TeV
|
AB
|
[
"Te",
"V"
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[
0.5,
0.5
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[
23,
23,
52,
52
] | 4
| 2
| 0
|
[
0,
0,
0
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[
"twodmatpd_1529"
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data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/2750/MD_1163823866792344038122750.json
| null |
{"exfoliation_energy_per_atom": 0.08922985500000014, "material_id": "2dm-1538", "source_id": "mp-604914", "total_magnetization": -0.0224664, "hash": "1163823866792344038122750428007753901269580678052921400498152178180119795643501379253622467681864627360677844314145897637432642197618378354583183158979608", "id": "MD_1163823866792344038122750"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4379415582092478905278633
|
437941558209247890527863328455978437483289150734606366340522069741659232202875774451110561251786654826032565472187072938095453903097693471860960435064865
| 2025-04-16T21:56:50
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -61.111144
|
[] |
[] | null | 3.9948
|
unknown
| null | null | null | null | null | null |
CO_2073391628111123115219425
|
2073391628111123115219425054459044416024464877025929597183033852409847474778504029213791108631999819909803161893212183527895025385364272996911582542753086
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26.820419
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0.9640954792774763,
12.81972954607086
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[
true,
true,
true
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F8Fe2Li2
|
F4FeLi
|
A4BC
|
[
"F",
"Fe",
"Li"
] |
[
0.6666666666666666,
0.16666666666666666,
0.16666666666666666
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[
3,
3,
26,
26,
9,
9,
9,
9,
9,
9,
9,
9
] | 12
| 3
| 0
|
[
0,
0,
0
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[
"twodmatpd_5653"
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data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/7674/MD_7791476497579939437697674.json
| null |
{"material_id": "2dm-5664", "source_id": "mp-776827", "total_magnetization": 10.0029029, "hash": "7791476497579939437697674481346662146339342930058862653640398289994610982418786120030705106026886283472851608752500866763722469854505751857828760471730275", "id": "MD_7791476497579939437697674"}
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{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4385822067451667340037406
|
4385822067451667340037406403351789997265311750461264934000394990838015628417642429734216647307728343322779446485481781274830034230910385382298356550589004
| 2025-04-16T20:30:11
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -167.773105
|
[] |
[] | null | 2.8777
|
unknown
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CO_1074025845048046999019255
|
10740258450480469990192552793840494369028652118847921805630708688321237346611675035959295394450587325184498846796039050810972636382145779115362177706605247
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[
true,
true,
true
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H4O16Pb8S2
|
H2O8Pb4S
|
A8B4C2D
|
[
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[
0.13333333333333333,
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8,
8,
8,
8,
8,
8,
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8,
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| 4
| 0
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[
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[
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data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/9889/MD_2530628079194392296069889.json
| null |
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PO_4401894949535920091059923
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4401894949535920091059923479860623615225060635028869951168424681686249787145595305251821823184986387027996515215112678855261171978002139048462422386905271
| 2025-04-16T20:58:52
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -45.604746
|
[] |
[] | null | 2.24
|
unknown
| null | null | null | null | null | null |
CO_6529187900240448540876345
|
6529187900240448540876345948644079429728572505841968705926271848825055460568718146819494344950720106291514054446228753245087020646170569050946241005507340
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0
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5.604682,
0
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[
0,
0,
22.719659
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[
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1.1249135,
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[
3.3747404999999997,
5.018393030026,
22.026550362887
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[
true,
true,
true
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O4Sn4
|
OSn
|
AB
|
[
"O",
"Sn"
] |
[
0.5,
0.5
] |
[
50,
50,
50,
50,
8,
8,
8,
8
] | 8
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_476"
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data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/0062/MD_3525764307902144795960062.json
| null |
{"exfoliation_energy_per_atom": 0.07263383749999974, "material_id": "2dm-482", "source_id": "mp-20878", "total_magnetization": 0.0, "hash": "3525764307902144795960062747967634995962862660539250397599209715022335072930781151752217576111673711104798600553751715329080955776091664913459586905254195", "id": "MD_3525764307902144795960062"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4404535744033355186698028
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4404535744033355186698028451106339297365438649078894190387294137884100961532517759843215092852100989267872282766840405550794228611890863026706412381431946
| 2025-04-16T18:55:10
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -4.183104
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_1226805735164629311006262
|
12268057351646293110062625055639638382863427604717570920038586649058741761996950898868920800785725816388075232017027829316991487906991058893525412170913507
|
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0
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0,
3.92158684,
0
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[
0,
0,
23.983674
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[
[
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[
1.96079342,
1.96079342,
13.302292955522999
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[
0,
0,
15.262658509098
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] |
[
true,
true,
true
] |
HgSr2
|
HgSr2
|
A2B
|
[
"Hg",
"Sr"
] |
[
0.3333333333333333,
0.6666666666666666
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[
38,
38,
80
] | 3
| 2
| 0
|
[
0,
0,
0
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[
"twodmatpd_1614"
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data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/0810/MD_6576510378474942259420810.json
| null |
{"material_id": "2dm-1624", "source_id": "mp-8094", "total_magnetization": -5.9e-06, "hash": "6576510378474942259420810236395486619276631148160088484291450755644473594888651557262909823860127474874227723674746369857784850840753952478308263866366953", "id": "MD_6576510378474942259420810"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4398872484845668018956070
|
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| 2025-04-16T21:37:22
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| null |
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_7334039920907372955797960
|
7334039920907372955797960496944573544967847552318113653485914067491392994196577602428257468036179450489767347900435082657664116615961495590025205483481693
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[
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0
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[
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4.80054709,
0
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[
0,
0,
22.849215
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[
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2.394909424531797,
2.980733476220521,
12.2462904055365
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0.2255582348971236,
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10.6029245944635
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0.2786097839688616,
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12.951206282182051
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[
2.3418578754600587,
4.047315238666699,
9.89800871781795
]
] |
[
true,
true,
true
] |
Sb2Se2
|
SbSe
|
AB
|
[
"Sb",
"Se"
] |
[
0.5,
0.5
] |
[
51,
51,
34,
34
] | 4
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_6129"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/5278/MD_1785024122360258131395278.json
| null |
{"material_id": "2dm-6147", "source_id": "mp-1065860", "total_magnetization": -1e-07, "hash": "1785024122360258131395278591225579873805071470724296023113585251410955234137738701120350439581580579082164025746058862121110115967611476773786880697697973", "id": "MD_1785024122360258131395278"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4405459334963881518528332
|
4405459334963881518528332681852918242968175104989801714487883393253453566548999855172211104389378471457080656157575804893251938798673698517818160136070966
| 2025-04-17T18:16:17
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -21.872369
|
[] |
[] | null | 1.1043
|
unknown
| null | null | null | null | null | null |
CO_3022595278777740084793483
|
302259527877774008479348396047184041022358223267155599942326468246954114531935802324849393285308290560192899798910930637509971622002078654078733545751702
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4298099293366543070156808975299578163996491764660818480433809477401025531645140675857898296848140478935356211250530569571164055284388657114601668954088729
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0,
0
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[
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3.49758316,
0
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[
0,
0,
25.294263
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[
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2.33172327252772,
1.76595058917375
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2.01933213933012,
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5.53397371262625
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2.01933213933012,
1.1658598874722799,
0.30920162387933997
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[
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2.33172327252772,
6.9907479721836605
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[
0,
0,
3.6499621509000004
]
] |
[
true,
true,
true
] |
Bi2S3
|
Bi2S3
|
A3B2
|
[
"Bi",
"S"
] |
[
0.4,
0.6
] |
[
83,
83,
16,
16,
16
] | 5
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_618"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/4977/MD_9065922305091288291234977.json
| null |
{"exfoliation_energy_per_atom": 0.05873338199999978, "material_id": "2dm-625", "source_id": "mp-1201", "total_magnetization": 0.0, "hash": "906592230509128829123497713213465005772369399644465803557993691729986740871850309742724436909785319200708284233104143390496183700277943369554565646396850", "id": "MD_9065922305091288291234977"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4406548250303975501015177
|
440654825030397550101517724510123838868569123021484061568169217143034580574621068772341428836403940631760972692910977008016518210380743887789412001411069
| 2025-04-16T16:08:11
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -58.021321
|
[] |
[] | null | 0.3638
|
unknown
| null | null | null | null | null | null |
CO_1062778203582233547114279
|
10627782035822335471142797743701696078351505808167962029990112536743445120390448907031141421257983981034167875909172311058449517936146377311232487624358788
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[
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0
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[
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5.08549261,
0
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[
0,
0,
28.061821
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[
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4.62477407651481,
14.0309105
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1.294881426232233,
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12.895633892932329
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0.1861004681054063,
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15.166187107067667
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3.7912452811102906,
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11.56884012804923
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4.203335322564109,
17.357546775540698
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0.9996647223211548,
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12.145467334394889
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[
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14.57520347309841
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13.486617526901588
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1.8534510921210803,
18.111863958022248
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[
1.2670652860466463,
2.3109756012796896,
9.949957041977749
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[
2.838976700566548,
1.4109714876909327,
16.49298087195077
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] |
[
true,
true,
true
] |
AgBi2F12
|
AgBi2F12
|
A12B2C
|
[
"Ag",
"Bi",
"F"
] |
[
0.06666666666666667,
0.13333333333333333,
0.8
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[
47,
83,
83,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9
] | 15
| 3
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_5702"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/2718/MD_6176339247664397673602718.json
| null |
{"exfoliation_energy_per_atom": 0.03183045866666667, "material_id": "2dm-5713", "source_id": "mp-28965", "total_magnetization": 1.0013938, "hash": "6176339247664397673602718701969177681011857036067227870850693714941993415068045658936011689558212808108425723119153914733953845582096339410139376135882968", "id": "MD_6176339247664397673602718"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4407892090119177432933946
|
4407892090119177432933946711601184447746323681969117888758530376092643609084713279168603956065328459754868651230060957686772314862789623391187197349338856
| 2025-04-16T15:43:19
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -6.569302
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_1309504594880306971064026
|
13095045948803069710640267322855769301852171302730092756743482515038663746802125920771549679882192587452766837957528204582361689332565196913390408842437177
|
11852728506942991857534909972018919817542851285392946373946907393247357410232282227725130604550660152638339623062336567824736688722385305797826837723147497
|
[
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1e-7,
0
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[
-2.3773643,
4.11771673,
0
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[
0,
0,
23.407847
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] |
[
[
2.3773675973647594,
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18.06195845464907
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[
-0.000001917364760214927,
2.74514589257221,
22.31250465497293
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[
0,
0,
20.187231554811
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] |
[
true,
true,
true
] |
BrRb2
|
BrRb2
|
A2B
|
[
"Br",
"Rb"
] |
[
0.3333333333333333,
0.6666666666666666
] |
[
37,
37,
35
] | 3
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_2686"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/7018/MD_1106668223080449509467018.json
| null |
{"exfoliation_energy_per_atom": 0.14271990666666645, "material_id": "2dm-2697", "source_id": "mp-990084", "total_magnetization": -1.2e-05, "hash": "11066682230804495094670186203754707508836017892853408475604303591405601282309919574661895985468923770198900377710720235003036173066909588115638609007705693", "id": "MD_1106668223080449509467018"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4426653501832142381281499
|
4426653501832142381281499254995910395062137319548311794263508895384338229709674589735400625928003087798384488604491693000495388950115815789971672659757587
| 2025-04-16T16:23:01
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -7.008201
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_8163092371264134915793781
|
8163092371264134915793781976736786371356779046205064912128119490854589960164958028193864160458840925797292306139077053055248704405487558880222385337142730
|
4249267618137608465412233400775025866258370465595030148757998825849098994188169838847828582414301390889986963175610115180900180251029078480403029167559910
|
[
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3.67688201,
0,
0
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[
0,
3.67688201,
0
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[
0,
0,
23.530221
]
] |
[
[
1.838441005,
1.838441005,
0
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[
1.838441005,
0,
1.6342754990047201
],
[
0,
1.838441005,
21.895921970774282
]
] |
[
true,
true,
true
] |
AgCl2
|
AgCl2
|
A2B
|
[
"Ag",
"Cl"
] |
[
0.3333333333333333,
0.6666666666666666
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[
47,
17,
17
] | 3
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_2449"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/6056/MD_2415584206992377312826056.json
| null |
{"exfoliation_energy_per_atom": 0.10214047999999964, "material_id": "2dm-2457", "source_id": "mp-33154", "total_magnetization": 0.3284938, "hash": "2415584206992377312826056260699657987942035070862213609262145048322616642748171056918693012706006415420234876818815348854870916842409058231506786701864719", "id": "MD_2415584206992377312826056"}
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PO_4432077880737537328896975
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| 2025-04-16T21:44:51
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -33.215048
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_9264342242880109269572448
|
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[
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[
true,
true,
true
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Ni3S4
|
Ni3S4
|
A4B3
|
[
"Ni",
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[
0.42857142857142855,
0.5714285714285714
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[
28,
28,
28,
16,
16,
16,
16
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| 2
| 0
|
[
0,
0,
0
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[
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data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/6218/MD_1138913748476759229646218.json
| null |
{"material_id": "2dm-2134", "source_id": "mp-21042", "total_magnetization": 6.9e-06, "hash": "11389137484767592296462188136524138352825952320721325559376984057641009195035556142963430513912093618482509994463955149208461631275426190309399337718410234", "id": "MD_1138913748476759229646218"}
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{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
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PO_4420062626527034886831538
|
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| 2025-04-16T18:43:26
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -212.278844
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[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_8740473725826304349556993
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[
true,
true,
true
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Ir18Ta6
|
Ir3Ta
|
A3B
|
[
"Ir",
"Ta"
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[
0.75,
0.25
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[
73,
73,
73,
73,
73,
73,
77,
77,
77,
77,
77,
77,
77,
77,
77,
77,
77,
77,
77,
77,
77,
77,
77,
77
] | 24
| 2
| 0
|
[
0,
0,
0
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[
"twodmatpd_2850"
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data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/9379/MD_1275003383953169574149379.json
| null |
{"material_id": "2dm-2861", "source_id": "mp-680599", "total_magnetization": 0.0090436, "hash": "1275003383953169574149379345818799945200967280974657505449628655046213821743828714863364037525738219180489708131451041436879293408582879085665819431885105", "id": "MD_1275003383953169574149379"}
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{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4422362877217436890876939
|
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| 2025-04-16T18:03:02
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -45.855956
|
[] |
[] | null | 0.9052
|
unknown
| null | null | null | null | null | null |
CO_1275534342753074615736779
|
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0.4007580275172598,
2.5890465098566886
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[
true,
true,
true
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O6Pb3
|
O2Pb
|
A2B
|
[
"O",
"Pb"
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[
0.6666666666666666,
0.3333333333333333
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[
82,
82,
82,
8,
8,
8,
8,
8,
8
] | 9
| 2
| 0
|
[
0,
0,
0
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[
"twodmatpd_2898"
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data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/7790/MD_2231371738871008751487790.json
| null |
{"material_id": "2dm-2909", "source_id": "mp-673168", "total_magnetization": 0.0, "hash": "2231371738871008751487790735109702745413421377415737143270114181055870469347189089381650916651665310311846826011318379785072663179939231797245326756869973", "id": "MD_2231371738871008751487790"}
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{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
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PO_4409647539120328895687653
|
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| 2025-04-16T18:13:42
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -95.509264
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_1246872912921543348287557
|
12468729129215433482875579493523931441339305409393118391633204160076839139426013124605829910659544702518379486632488195109597292217392614922282199007044939
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[
5e-8,
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[
true,
true,
true
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H4O8V3
|
H4O8V3
|
A8B4C3
|
[
"H",
"O",
"V"
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[
0.26666666666666666,
0.5333333333333333,
0.2
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[
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23,
1,
1,
1,
1,
8,
8,
8,
8,
8,
8,
8,
8
] | 15
| 3
| 0
|
[
0,
0,
0
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[
"twodmatpd_4494"
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data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/4304/MD_3777815975852230745624304.json
| null |
{"exfoliation_energy_per_atom": 0.07326143266666651, "material_id": "2dm-4505", "source_id": "mp-625855", "total_magnetization": 3.0002711, "hash": "3777815975852230745624304012054267159832080723821513697878173563182621761495077018777453016129255984119314638981780629967595222021492059983276512946488862", "id": "MD_3777815975852230745624304"}
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{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
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PO_4411960680296867087900778
|
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| 2025-04-16T17:31:44
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -16.763267
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_1216271832424974889697578
|
12162718324249748896975783243557994514002985046935597670368401076098718557768325473095990500034279979056264912784121953914793702210678273604386889327026300
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[
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[
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0,
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[
true,
true,
true
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O2W
|
O2W
|
A2B
|
[
"O",
"W"
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[
0.6666666666666666,
0.3333333333333333
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[
74,
8,
8
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| 2
| 0
|
[
0,
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0
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[
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data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/5069/MD_2573546570963096859155069.json
| null |
{"exfoliation_energy_per_atom": 0.0983344500000003, "material_id": "2dm-4567", "source_id": "mvc-11221", "total_magnetization": 1.0836812, "hash": "2573546570963096859155069729596244482511763193457183373315817757299177683676334112613301878303463314093512773214369988120872378437981489093320986851660178", "id": "MD_2573546570963096859155069"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
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PO_4416726408143484618749294
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| 2025-04-16T16:10:07
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| null |
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_1143610606691280650844822
|
11436106066912806508448223883724356696985023034029893671559504157767282321421794688436645035362339360697125434663399832075671132679892048989135916474726325
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[
0,
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[
true,
true,
true
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F10N2
|
F5N
|
A5B
|
[
"F",
"N"
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[
0.8333333333333334,
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[
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9,
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9,
9,
9,
9,
9,
9,
9,
9
] | 12
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_2375"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/9111/MD_5256649559522626937549111.json
| null |
{"exfoliation_energy_per_atom": 0.07533475583333327, "material_id": "2dm-2382", "source_id": "mvc-6083", "total_magnetization": -0.0001253, "hash": "5256649559522626937549111895836876077967779419286083172047474569473728173069789246043222502325800178798940640752573335219028522457597569588664356670893466", "id": "MD_5256649559522626937549111"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4413744847165108220183659
|
4413744847165108220183659075624795785763461815600907486791797404605361104803226765481908509967200737866232841670820856100765825406187589031312651071202475
| 2025-04-16T15:43:39
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -39.226503
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_2542847262511087538859449
|
2542847262511087538859449138569211701770057211162350171031898407664213715281889902260764454383479512543447040295957093301104961996029489629748447717727090
|
10542854067663817089510623438810604283760875144154812502403178603721355073905794223334053999959887146317805423640528852661547364799402873837336428111715975
|
[
[
2.8365963,
0,
0
],
[
0,
2.8365963,
0
],
[
0,
0,
25.544133
]
] |
[
[
0,
0,
12.7720665
],
[
0,
0,
14.964092337486239
],
[
0,
0,
10.58004066251376
],
[
1.41829815,
1.41829815,
11.33907026989428
],
[
1.41829815,
1.41829815,
14.205062730105718
]
] |
[
true,
true,
true
] |
B3Os2
|
B3Os2
|
A3B2
|
[
"B",
"Os"
] |
[
0.6,
0.4
] |
[
5,
5,
5,
76,
76
] | 5
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_6244"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/7420/MD_5328691258294228849407420.json
| null |
{"material_id": "2dm-6263", "source_id": "mp-1070580", "total_magnetization": 2.9e-06, "hash": "5328691258294228849407420214904760134615095609957201123237929498254660057160778296277854614653845232434691932490783075624166258342181105955897942523290044", "id": "MD_5328691258294228849407420"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4414871832913524351873754
|
4414871832913524351873754293980937939618766947936361579818932123498261437710471939808031906499604298422629780760808905320827686988698839123482212289507527
| 2025-04-16T20:10:06
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -5.65724
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_5528622867143380054082020
|
5528622867143380054082020887152717173401552473861390943320798298162456092229380786368515140893785788671269067619774055153094013629778865076611043428989336
|
12791808609554514117352154512530574002835330990066176845285436044383475327897294055307448502008940288395236103946250419168465021038548076898364670304196626
|
[
[
4.948669,
0,
0
],
[
-2.474335,
4.285675,
0
],
[
0,
0,
20
]
] |
[
[
-0.0000028076680001162047,
2.857118095225,
7.70726
],
[
0,
0,
7.70726
]
] |
[
true,
true,
true
] |
BiIn
|
BiIn
|
AB
|
[
"Bi",
"In"
] |
[
0.5,
0.5
] |
[
49,
83
] | 2
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_970"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/0030/MD_7567283266925538659350030.json
| null |
{"material_id": "2dm-6394", "source_id": "mp-7991", "total_magnetization": 0.0744632, "hash": "7567283266925538659350030616371219461638140340250584061451318679221839603857089407699293370675377350096804065362879198121104508216893150208854409631574676", "id": "MD_7567283266925538659350030"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4414208621885499056446269
|
4414208621885499056446269944949922623375506347999910766579684525440055599305346706813875046864179948983851021958638328927566997675370959933732368706776807
| 2025-04-16T21:09:01
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -1.992359
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_5051924912695611504395419
|
5051924912695611504395419479161423296979259274694219757512766046245927832986330505784466992129620156773195243371435097957626141913401423440884775811781859
|
10705564107837448279455417571987304298424967140457094720715191354547207182472134874373890949865838332740446157924919601228952566601495502141341084200470170
|
[
[
3.29220918,
-0.00016218,
0
],
[
-1.64624321,
2.8508606,
0
],
[
0,
0,
20
]
] |
[
[
1.645965607865307,
2.850698248971069,
10.000006800000001
]
] |
[
true,
true,
true
] |
Tl
|
Tl
|
A
|
[
"Tl"
] |
[
1
] |
[
81
] | 1
| 1
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_5972"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/4627/MD_9595280045336621351544627.json
| null |
{"material_id": "2dm-5983", "source_id": "mp-1055985", "total_magnetization": 0.0022306, "hash": "9595280045336621351544627036045106805685877635888948416726988017181755880731054887846190749236302539896823396933426393218922006922136981407964274757726988", "id": "MD_9595280045336621351544627"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4800161294592377331449973
|
4800161294592377331449973792828966578626134979806561633095568850890382164933472307877032018988798014788267255019253986861626799133774096943510108018214519
| 2025-04-16T16:29:44
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -9.161209
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_4949799658877252086702971
|
4949799658877252086702971774505704327772155355762845204093775350573450962409864747415431165772909940678024447509739258544622975091388795879397749672734471
|
2185053419861696594194360556048786816473762946295302636029687522438708193370750360397583691108195750891083801725413186663770257204224654140041221334128425
|
[
[
5.030922,
0,
0
],
[
-2.515462,
4.356906,
0
],
[
0,
0,
22.747784
]
] |
[
[
2.5154631821280007,
1.452300547698,
19.054658519815998
],
[
-0.0000031821279998560217,
2.9046054523020004,
0.107506027184
],
[
0,
0,
20.954985647392
]
] |
[
true,
true,
true
] |
Ba2Bi
|
Ba2Bi
|
A2B
|
[
"Ba",
"Bi"
] |
[
0.6666666666666666,
0.3333333333333333
] |
[
56,
56,
83
] | 3
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_936"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/9818/MD_8418781372565868744309818.json
| null |
{"exfoliation_energy_per_atom": 0.23269312999999991, "material_id": "2dm-943", "source_id": "mp-1245", "total_magnetization": 0.6501892, "hash": "8418781372565868744309818204371738941109097198940103848238691728133567442650575733846409574883603103455019948174758607957636412932004912284352739274023626", "id": "MD_8418781372565868744309818"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4803960310516888960098027
|
4803960310516888960098027054119924781889359339706241276346516212423736813736449002859568832361744963435752669427007673744017937822186311846847061533336901
| 2025-04-16T16:30:52
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -24.562645
|
[] |
[] | null | 4.5393
|
unknown
| null | null | null | null | null | null |
CO_3433995331024594071110591
|
3433995331024594071110591239015627942709049792826453258992826515586255992378225266955606813945602991134684542567618077252541764518782708805423196079090496
|
7256069623335791049867253244547152167679554265361780236181730559637107844542180491123954031974998491530164242707101754166346434630138888846369897300141426
|
[
[
6.18736376,
0,
0
],
[
-3.09368188,
5.35841453,
0
],
[
0,
0,
23.168642
]
] |
[
[
0,
0,
3.5039688845935197
],
[
-0.0000030936818801819978,
3.57227813947151,
3.5945019750134595
],
[
3.0936849736818797,
1.78613639052849,
3.5976063413550396
],
[
-1.0235735449867591,
1.775295782092847,
4.9470423478079795
],
[
4.111664182788217,
0.0015755346242559,
2.18523248722268
],
[
1.0392204288944162,
1.7968209083488742,
2.18523248722268
],
[
2.068017501051462,
3.584325891532471,
4.9470423478079795
],
[
4.130170309363008,
3.56001272861234,
2.18523248722268
],
[
-1.0444439560647025,
5.357207386374681,
4.9470423478079795
]
] |
[
true,
true,
true
] |
Cl6Zn3
|
Cl2Zn
|
A2B
|
[
"Cl",
"Zn"
] |
[
0.6666666666666666,
0.3333333333333333
] |
[
30,
30,
30,
17,
17,
17,
17,
17,
17
] | 9
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_909"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/8431/MD_1563201815459531000308431.json
| null |
{"exfoliation_energy_per_atom": 0.06575452444444463, "material_id": "2dm-916", "source_id": "mp-571558", "total_magnetization": -0.0, "hash": "1563201815459531000308431858200630721663779040284344898120920099846061047934939458521585669677187300878841787316642381846802148720665826531004355614076235", "id": "MD_1563201815459531000308431"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
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