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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_2624692679321597125045017
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Bi4I24Tl12
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BiI6Tl3
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A6B3C
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data/MD/6422/MD_8361437096859737127706422.json
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data/MD/5829/MD_1210822119719470662155829.json
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PO_1000629077068597284685818
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| 2025-04-16T21:51:46
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -51.253416
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[] |
[] | null | 0
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unknown
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CO_4748864749105287328749065
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Ag2Ge2O6
|
AgGeO3
|
A3BC
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[
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[
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[
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data/MD/6422/MD_8361437096859737127706422.json
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data/MD/9067/MD_4707892162135147305209067.json
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PO_1001827316905783535476372
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| 2025-04-16T16:54:28
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| null |
[] |
[] | null | 5.4648
|
unknown
| null | null | null | null | null | null |
CO_5187306849469763360617680
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Al2O3
|
Al2O3
|
A3B2
|
[
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[
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[
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| 2
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[
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[
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data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/4212/MD_3877571261323404659084212.json
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PO_1001979129592238909632256
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| 2025-04-16T18:27:12
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -162.516248
|
[] |
[] | null | 4.2635
|
unknown
| null | null | null | null | null | null |
CO_4484361291010517248227897
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[
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true
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H12Al4O12
|
AlH3O3
|
A3B3C
|
[
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[
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| 3
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[
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data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/1834/MD_5286803226128395704761834.json
| null |
{"exfoliation_energy_per_atom": 0.07781198178571369, "material_id": "2dm-5346", "source_id": "mp-626431", "total_magnetization": 0.0, "hash": "5286803226128395704761834848807776444391932726435717696607081579944114140763215155740146573258875100999414367281851055927123814124979558542946298208080302", "id": "MD_5286803226128395704761834"}
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PO_1001991285561903613320606
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| 2025-04-16T22:03:29
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -208.825618
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_1764355639906757150165594
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true,
true,
true
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S18Ta9
|
S2Ta
|
A2B
|
[
"S",
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[
0.6666666666666666,
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16,
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16,
16,
16,
16,
16,
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16,
16,
16
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| 2
| 0
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[
0,
0,
0
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[
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data/MD/6422/MD_8361437096859737127706422.json
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data/MD/5029/MD_2889834741227040401495029.json
| null |
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PO_1002350322421999957182035
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| 2025-04-16T18:47:00
|
DS_hdv6si8yu2mv_0
| 1
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VASP
|
DFT-vdW-optB88
| -38.188346
|
[] |
[] | null | 5.4021
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unknown
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CO_1043472069216250939747908
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[
true,
true,
true
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Ca3Cl6
|
CaCl2
|
A2B
|
[
"Ca",
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[
0.3333333333333333,
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[
20,
20,
20,
17,
17,
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17,
17,
17
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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/5282/MD_9129211523241008958365282.json
| null |
{"material_id": "2dm-2256", "source_id": "mp-684652", "total_magnetization": 0.0, "hash": "912921152324100895836528229703011720289766817246535114235570029532443034725848358600221376931150711813521953056108037227339615254585545073977049614151845", "id": "MD_9129211523241008958365282"}
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PO_1002456988433291797586050
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10024569884332917975860507689586882945067826744458810156275294653900909076202060760179314420323865715110512282323452032068594563588357336454489852198212263
| 2025-04-16T19:00:21
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -53.736394
|
[] |
[] | null | 1.9953
|
unknown
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CO_1121172374655873084144537
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[
true,
true,
true
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Ge3O6
|
GeO2
|
A2B
|
[
"Ge",
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[
0.3333333333333333,
0.6666666666666666
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[
32,
32,
32,
8,
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8,
8,
8
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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/8892/MD_1243967028736470370548892.json
| null |
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PO_1002447405672066660406046
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| 2025-04-17T18:06:06
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -368.871158
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[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_8715462166887414667241914
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0,
6.326900644511064,
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[
true,
true,
true
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O26Ta12
|
O13Ta6
|
A13B6
|
[
"O",
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[
0.6842105263157895,
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[
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 38
| 2
| 0
|
[
0,
0,
0
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[
"twodmatpd_668"
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data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/4314/MD_1537555161432509238554314.json
| null |
{"material_id": "2dm-675", "source_id": "mp-715617", "total_magnetization": 7.95e-05, "hash": "1537555161432509238554314587508894475517892161215903180842473068952327996096578685284114161147386323125303249598047094805581693509197126682667656683827760", "id": "MD_1537555161432509238554314"}
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|
PO_1000823889911456774960971
|
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| 2025-04-16T21:28:46
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -31.475654
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_2810084325388023141715313
|
2810084325388023141715313641038347660043308906860581602897770802254617069789612117542521887196470317862745431973224261771552836248471273980871143589500540
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[
true,
true,
true
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Se6Tl4
|
Se3Tl2
|
A3B2
|
[
"Se",
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[
0.6,
0.4
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[
81,
81,
81,
81,
34,
34,
34,
34,
34,
34
] | 10
| 2
| 0
|
[
0,
0,
0
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[
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data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/1531/MD_2798768145400146808441531.json
| null |
{"material_id": "2dm-2062", "source_id": "mp-32580", "total_magnetization": 2e-07, "hash": "2798768145400146808441531797648423280764402201521512539545945680553079998096182214776546314848093271374490977583278096219082852128561498857054768898995602", "id": "MD_2798768145400146808441531"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
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PO_1001248424513979564373898
|
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| 2025-04-16T17:08:59
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -188.680949
|
[] |
[] | null | 0.7474
|
unknown
| null | null | null | null | null | null |
CO_4728131848058580411078186
|
4728131848058580411078186260746819534873232319874885357168229978223800805009449854808558487367061879008743576565556205342024341213006200214320435844306560
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Cr8O18Zn2
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Cr4O9Zn
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A9B4C
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data/MD/6422/MD_8361437096859737127706422.json
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data/MD/5147/MD_9764814640817965228705147.json
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PO_1001459576335317520302805
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| 2025-04-16T18:31:36
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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_6981708815190883589067420
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BiF5
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BiF5
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A5B
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data/MD/6422/MD_8361437096859737127706422.json
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data/MD/2049/MD_5966620476605610350652049.json
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PO_1001505568399825266115347
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DS_hdv6si8yu2mv_0
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VASP
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DFT-vdW-optB88
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CO_1112098987689341043712180
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I8Nb3
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I8Nb3
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A8B3
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data/MD/6422/MD_8361437096859737127706422.json
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data/MD/3948/MD_4430033101389767702783948.json
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PO_1001504519961617701005883
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DS_hdv6si8yu2mv_0
| 1
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VASP
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DFT-vdW-optB88
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unknown
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CO_6630446955334543786368620
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MoO8V2
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MoO8V2
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A8B2C
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data/MD/6422/MD_8361437096859737127706422.json
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data/MD/5269/MD_1461869891120145191015269.json
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PO_1001617964697137021199169
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| 2025-04-16T15:44:34
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DS_hdv6si8yu2mv_0
| 1
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VASP
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DFT-vdW-optB88
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unknown
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CO_4023942247340487715160708
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O20Se8
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O5Se2
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A5B2
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data/MD/6422/MD_8361437096859737127706422.json
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data/MD/4700/MD_1736690290992353845534700.json
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PO_4904437711359422398617743
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DS_hdv6si8yu2mv_0
| 1
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VASP
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DFT-vdW-optB88
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unknown
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CO_1444911557496895933481287
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true
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As6Pt3
|
As2Pt
|
A2B
|
[
"As",
"Pt"
] |
[
0.6666666666666666,
0.3333333333333333
] |
[
33,
33,
33,
33,
33,
33,
78,
78,
78
] | 9
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_1866"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/0634/MD_5592618242674642154410634.json
| null |
{"material_id": "2dm-1874", "source_id": "mp-569581", "total_magnetization": 7.1e-06, "hash": "5592618242674642154410634296280615591909337360323074425835600367536556537567052045825807055384228558049643293041939130090391861289432165870498356320979656", "id": "MD_5592618242674642154410634"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4904938733111637808853154
|
490493873311163780885315426963523607950651041288217732038645475212695845205205994151397504997489369483505672923522589721002522319367643410432960740890330
| 2025-04-16T16:32:50
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -56.459519
|
[] |
[] | null | 1.0651
|
unknown
| null | null | null | null | null | null |
CO_9204664338684749211478471
|
9204664338684749211478471298492939436271591794419294547158593715608977325195361734202164562598418110850833218409610375125326737539071173402036583752403745
|
7142711598739912055594667988443195304690035833558597803635819663810514775423794574383023844437602749881797786211086834890369223282967723268126395637014262
|
[
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0.08272039,
0
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[
2.37445475,
7.25454454,
0
],
[
0,
0,
25.743521
]
] |
[
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5.6437685328671146,
4.068718541035646,
11.753576763863661
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[
2.6064571271328854,
3.2685463889643542,
13.989944236136342
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6.757111942640795,
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10.497699944130671
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1.4931137173592048,
0.1092858935872696,
15.245821055869332
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6.258364605183786,
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10.968275804462861
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[
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1.9633454736251503,
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4.539360153675124,
2.2114681595420973,
13.384598726452262
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4.908439582062856,
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13.88477783388798
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15.761624678505582
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[
1.6556313096863213,
2.528610278797771,
11.85874316611202
]
] |
[
true,
true,
true
] |
Cl6I2N2V2
|
Cl3INV
|
A3BCD
|
[
"Cl",
"I",
"N",
"V"
] |
[
0.5,
0.16666666666666666,
0.16666666666666666,
0.16666666666666666
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[
23,
23,
53,
53,
7,
7,
17,
17,
17,
17,
17,
17
] | 12
| 4
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_4380"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/5963/MD_7045287746603941606995963.json
| null |
{"material_id": "2dm-4391", "source_id": "mp-570829", "total_magnetization": -0.0014954, "hash": "7045287746603941606995963439655520221060888460153055497225300671594566728619185659493081620731439395762262483238694035781392641053228952821560313986021051", "id": "MD_7045287746603941606995963"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4908233839247297513212369
|
490823383924729751321236996210565619866457357332587298248252243517802410105598983869834098123262008598563325331961112811033948886775528995231148037447893
| 2025-04-16T16:43:28
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -23.220045
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_8168558489994746684995141
|
8168558489994746684995141883231228957184512074159475358236679548924469474572872055260926201011076955678336436924920077019027638232439170456091916517904316
|
6102090901667191234619504160589754761905422070732908989938566819356802710326224189511709133156461217479513463043482480859172343227962640887163351831278427
|
[
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3.90411174,
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0
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[
-1.95205538,
3.38105979,
0
],
[
0,
0,
25.062119
]
] |
[
[
1.95205798538904,
1.1270187963134,
13.852274515215589
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[
1.95205798538904,
1.1270187963134,
11.209844484784409
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[
0,
0,
12.5310595
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[
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2.2540409836866,
15.118339585708108
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[
-0.0000016253890400443428,
2.2540409836866,
9.943779414291889
]
] |
[
true,
true,
true
] |
Ni2SbTe2
|
Ni2SbTe2
|
A2B2C
|
[
"Ni",
"Sb",
"Te"
] |
[
0.4,
0.2,
0.4
] |
[
28,
28,
51,
52,
52
] | 5
| 3
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_4984"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/4151/MD_1062707614818743387894151.json
| null |
{"exfoliation_energy_per_atom": 0.07165735099999981, "material_id": "2dm-4995", "source_id": "mp-3250", "total_magnetization": 5.1e-06, "hash": "10627076148187433878941518370136636797729584892582327341395089473381064543222218003733202302862408243262150899224753539407178532304234645060757014427515504", "id": "MD_1062707614818743387894151"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4908245993034194104069448
|
4908245993034194104069448017332799318375408758854759908304503864902329346301019030904010405656048601878889384523485774093251396303018768466456518827748239
| 2025-04-16T18:26:59
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -74.829182
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_1262665440578806645488589
|
12626654405788066454885899782950616625628962049045444799999820424493739194140459063430333131838937381948843764214521084107372366863693362219951899502774158
|
2345124652326076861563435099125353117262030873044869704870553185035841052154630552151077438061418758284269405677561179126193504472650860494799481306492349
|
[
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0,
0
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[
0,
12.749094,
-0.087412
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[
0,
-0.342835,
33.717044
]
] |
[
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2.115843,
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22.700949869096
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[
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0,
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0,
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31.733229618192002
],
[
2.115843,
2.10688827717,
29.583144387516
]
] |
[
true,
true,
true
] |
Br4Sb16
|
BrSb4
|
A4B
|
[
"Br",
"Sb"
] |
[
0.2,
0.8
] |
[
51,
51,
51,
51,
51,
51,
51,
51,
51,
51,
51,
51,
51,
51,
51,
51,
35,
35,
35,
35
] | 20
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_168"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/2274/MD_3676335873974847567152274.json
| null |
{"exfoliation_energy_per_atom": 0.09110029350000026, "material_id": "2dm-172", "source_id": "mp-583234", "total_magnetization": -1.3e-06, "hash": "3676335873974847567152274620721269534659409081401093203205476912337689819547306650049971129119296314896621983946797102032616100091547676359946010000237829", "id": "MD_3676335873974847567152274"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4908965587799683824800224
|
490896558779968382480022458842023354343503151492080243700662231193105628775690137004680290865829652220887306139221008394306798444261002327250998041925785
| 2025-04-16T17:55:33
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -59.737318
|
[] |
[] | null | 4.1941
|
unknown
| null | null | null | null | null | null |
CO_5182999019125302817023627
|
5182999019125302817023627673639836586376256581530748730222234653077704081729587023819815083408203223951721647555804931562307549100631642997248627729636204
|
12042841528136399195862434393179374309703304298444943401439230533491377243517346287609876839209622060856103145896452199836191256656080000139755169677734470
|
[
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3.2793933,
0,
0
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[
0,
4.00977386,
0
],
[
0,
0,
26.10339
]
] |
[
[
0,
0.9918332825845313,
14.0220639860634
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[
1.63969665,
2.996720212584531,
12.0813260139366
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1.63969665,
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16.118698973253302
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[
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[
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[
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1.0719397829025779,
15.3862576884297
],
[
0,
3.076826712902578,
10.717132311570301
]
] |
[
true,
true,
true
] |
H2O4Sc2
|
HO2Sc
|
A2BC
|
[
"H",
"O",
"Sc"
] |
[
0.25,
0.5,
0.25
] |
[
21,
21,
1,
1,
8,
8,
8,
8
] | 8
| 3
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_5128"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/6202/MD_1665172555596403539276202.json
| null |
{"exfoliation_energy_per_atom": 0.08771841125000002, "material_id": "2dm-5139", "source_id": "mp-625150", "total_magnetization": -0.0, "hash": "1665172555596403539276202534548773438328890179102226868554138744983101509518004245588289793480110978805236548424818574402488804637834273137308672237691513", "id": "MD_1665172555596403539276202"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4915344444183040477472376
|
4915344444183040477472376452701024869238858077500721491953921177978474503192651047767366631790202296390387217840424474151414236174762870497908825959447190
| 2025-04-16T15:43:51
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -83.87478
|
[] |
[] | null | 0.1785
|
unknown
| null | null | null | null | null | null |
CO_1220757825089352063295926
|
1220757825089352063295926557681326186505158426169710381585770489699800802343695923856265042364004674685127727294489814355237839756006148308177612470478580
|
10507164300850042081531658653520277642082841056317266375009377457870245024891272976306365764245773856581169773031290309410330939281123485761598467589568968
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0
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[
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11.62658641,
0
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[
0,
0,
23.69029
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[
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3.6154404932079505,
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21.5102754001824
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[
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1.5034092567871
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[
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22.1868807432129
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[
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3.9054748293240222,
2.1800145998176
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[
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21.5102754001824
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[
0.5504890451870003,
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[
0.4825313951137735,
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[
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2.9066466025,
23.0152676421473
],
[
1.003187639813,
7.0587428831577075,
1.0642765652311001
]
] |
[
true,
true,
true
] |
Cl14Re4
|
Cl7Re2
|
A7B2
|
[
"Cl",
"Re"
] |
[
0.7777777777777778,
0.2222222222222222
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[
75,
75,
75,
75,
17,
17,
17,
17,
17,
17,
17,
17,
17,
17,
17,
17,
17,
17
] | 18
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_1292"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/6797/MD_7650785503723007222326797.json
| null |
{"material_id": "2dm-1301", "source_id": "mp-765923", "total_magnetization": 9.999604, "hash": "7650785503723007222326797814752375567176877793412185469381657915570749380714336272246031105722140474296245561964988682527398161352556692132033012998779659", "id": "MD_7650785503723007222326797"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4922116806457198893000539
|
4922116806457198893000539123486958024281959684060539539545784732344993445088926300627369992700504166981309871949464108435265052421905234410470105729056774
| 2025-04-16T21:56:50
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -66.755881
|
[] |
[] | null | 1.9443
|
unknown
| null | null | null | null | null | null |
CO_1161645304810671679754998
|
11616453048106716797549983593624022228508958620895721449541782038067428990145642089750999406828177830975487117186561996438863785276283364449539563631398712
|
12382672136966519487461251564951615212885222344587742425572213204331540456874855620812914013113681406903249248469100472186177863025213572844640259126084997
|
[
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0
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[
0.96788939,
6.7851362,
0
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[
0,
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22.558957
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] |
[
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[
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5.029801991093617,
4.985368275115292,
12.53431732487102
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[
true,
true,
true
] |
I4O12
|
IO3
|
A3B
|
[
"I",
"O"
] |
[
0.25,
0.75
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[
53,
53,
53,
53,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 16
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_3665"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/5805/MD_4048728693860840147155805.json
| null |
{"exfoliation_energy_per_atom": 0.07672935062499997, "material_id": "2dm-3676", "source_id": "mp-23315", "total_magnetization": 0.0, "hash": "4048728693860840147155805883265859160430969189820201375540851674261095118542497081386402125850186094039812536584205560005555848980906460798730596503300085", "id": "MD_4048728693860840147155805"}
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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_4922394795864270287686195
|
4922394795864270287686195584157351883837372610021306898316135075469567775834210580895920354563425218543955797213555431170323268236066952966166372691578158
| 2025-04-16T18:35:23
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -47.783962
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_4986064176110442539745601
|
49860641761104425397456012561844345084898022580141546163716440366357192418210490295448438134657852772711161819565611531099116451883233337214306016871061
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[
0,
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[
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[
true,
true,
true
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Mo3Se4
|
Mo3Se4
|
A4B3
|
[
"Mo",
"Se"
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[
0.42857142857142855,
0.5714285714285714
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[
42,
42,
42,
34,
34,
34,
34
] | 7
| 2
| 0
|
[
0,
0,
0
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[
"twodmatpd_702"
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data/MD/6422/MD_8361437096859737127706422.json
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data/MD/2650/MD_8424690608589275610262650.json
| null |
{"exfoliation_energy_per_atom": 0.032710449999998836, "material_id": "2dm-709", "source_id": "mp-570122", "total_magnetization": -1.19e-05, "hash": "8424690608589275610262650189954958896173503563700142430417483545237456103315652667218818492482427352961779644368708186152248623549905469091937967655404396", "id": "MD_8424690608589275610262650"}
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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_4921142318808972329216490
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4921142318808972329216490733098209930227582184480508097875566438351109658052048044953503832593822806883499654635385192588403328047641457711523211192313874
| 2025-04-16T16:30:42
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -78.915354
|
[] |
[] | null | 4.4351
|
unknown
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CO_8309496134393839745650540
|
8309496134393839745650540404157301552512383598161600637382024360767056163034559659224606821340549205190768241478951755465401249905573951049479384386254766
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7581188468481495167248424859626822583711796340832226665729059053074437995384448891933207615448639709279500232445290704563860230058725537398423787406381248
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0
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[
0,
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22.412351
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[
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2.687746564249402,
2.301291437384335,
11.2061755
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[
true,
true,
true
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Li4O8S2
|
Li2O4S
|
A4B2C
|
[
"Li",
"O",
"S"
] |
[
0.2857142857142857,
0.5714285714285714,
0.14285714285714285
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[
3,
3,
3,
3,
16,
16,
8,
8,
8,
8,
8,
8,
8,
8
] | 14
| 3
| 0
|
[
0,
0,
0
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[
"twodmatpd_5254"
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data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/7491/MD_6243551597650174038977491.json
| null |
{"exfoliation_energy_per_atom": 0.28184249928571425, "material_id": "2dm-5265", "source_id": "mp-558382", "total_magnetization": -0.0, "hash": "6243551597650174038977491156078132046203537773328019456183192372036277651662157788841890783322929903237270674534126805538075269534550072820649902692806445", "id": "MD_6243551597650174038977491"}
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{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4921672132724028222225147
|
4921672132724028222225147267528274742257181491843025178337722418084227953002359703068428738675321021564521612899029673978347522486828141192174705644333543
| 2025-04-16T16:44:56
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -5.058423
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_1019626680386821428163708
|
10196266803868214281637088835747376207998625341097610427876584167364100062762604749675876814074561136630019909273479860648677726662172169546273184429808491
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0
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0,
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0
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[
0,
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23.983674
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[
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[
1.795473545,
1.795473545,
13.45141696486302
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[
0,
0,
15.262658509098
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] |
[
true,
true,
true
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Ca2Zn
|
Ca2Zn
|
A2B
|
[
"Ca",
"Zn"
] |
[
0.6666666666666666,
0.3333333333333333
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[
20,
20,
30
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| 2
| 0
|
[
0,
0,
0
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[
"twodmatpd_939"
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data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/4650/MD_5655202087207543153054650.json
| null |
{"exfoliation_energy_per_atom": 0.27200246, "material_id": "2dm-946", "source_id": "mp-8094", "total_magnetization": -0.0172687, "hash": "5655202087207543153054650220774673299162981250490181914026663655283818462228420771123788704704414514129153710166122648201663967808537497635034947575694172", "id": "MD_5655202087207543153054650"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4925696311491950863772211
|
4925696311491950863772211124068822729606054983371770392377623373896742933452783174967372810267263712790072428854175232180216967129554900415505595539116819
| 2025-04-16T21:13:40
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -173.968981
|
[] |
[] | null | 3.6174
|
unknown
| null | null | null | null | null | null |
CO_9101308269318107712982366
|
9101308269318107712982366683078920245574300328526247388065663657189270542783240421265878769669612663289473665087860400170863454616799366356651166234481011
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8931678095413088086443812639497880068075678113231737191949183697408121633801121232998685851424720741083102659423471391372991907339888432965111838222281470
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[
2.74045805,
3.562568075,
12.50628738
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] |
[
true,
true,
true
] |
O14Si4Sr2Ti2
|
O7Si2SrTi
|
A7B2CD
|
[
"O",
"Si",
"Sr",
"Ti"
] |
[
0.6363636363636364,
0.18181818181818182,
0.09090909090909091,
0.09090909090909091
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[
38,
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22,
22,
14,
14,
14,
14,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 22
| 4
| 0
|
[
0,
0,
0
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[
"twodmatpd_4907"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/5801/MD_1209961323289667286355801.json
| null |
{"exfoliation_energy_per_atom": 0.11214130590908944, "material_id": "2dm-4918", "source_id": "mp-559208", "total_magnetization": 0.0, "hash": "12099613232896672863558012904961487095959169878496194462362527119895062435688388882152339237261176956566079242758468983341601701418288806944136578552512102", "id": "MD_1209961323289667286355801"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4929475981255489347603778
|
492947598125548934760377868408524163985049448049099222312331241409374592760596547329379016472812519630897026712142740546410455847032460615956185375899655
| 2025-04-16T16:43:24
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -48.650686
|
[] |
[] | null | 4.3049
|
unknown
| null | null | null | null | null | null |
CO_1794271831561350026190046
|
1794271831561350026190046055306448635958151929733747207037420971470793145165705811363442977404112934522102489551261506479904718649066983050924335845187337
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[
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26.1296517
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[
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[
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1.8211870907291952,
25.62004322513818
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] |
[
true,
true,
true
] |
F8Ni4
|
F2Ni
|
A2B
|
[
"F",
"Ni"
] |
[
0.6666666666666666,
0.3333333333333333
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[
28,
28,
28,
28,
9,
9,
9,
9,
9,
9,
9,
9
] | 12
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_452"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/4793/MD_6020981422984258740274793.json
| null |
{"exfoliation_energy_per_atom": 0.2512173683333332, "material_id": "2dm-457", "source_id": "mp-28319", "total_magnetization": 8.0059964, "hash": "6020981422984258740274793407775222286430076872335534431811672546849905540230677681507730619975157005886824329390545635172605649435062264693723702022765667", "id": "MD_6020981422984258740274793"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4938388801726896143548833
|
4938388801726896143548833136792569221845892434629888051650375369136964835105700051796288309210992286501128447666180886401117654608319762752424465763735982
| 2025-04-16T16:22:41
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -34.327579
|
[] |
[] | null | 0.0055
|
unknown
| null | null | null | null | null | null |
CO_1517713115827790876861103
|
1517713115827790876861103437947469842021729486983606286780816971041816386291979831589828921045917174418349120308215857579995551851644132702004680479142894
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8548407568443903694745798594927457739715006247473988553464009096584589405738300133805207827990949901118562950298138238516408337589181959967536985354947167
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0,
0
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[
0,
8.06404614,
0
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[
0,
0,
23.703964
]
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[
[
0,
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[
0,
0,
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[
0,
4.03202307,
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0,
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[
0,
5.96570416145044,
11.851982
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[
1.82685781,
4.03202307,
11.851982
]
] |
[
true,
true,
true
] |
AlF5Sn
|
AlF5Sn
|
A5BC
|
[
"Al",
"F",
"Sn"
] |
[
0.14285714285714285,
0.7142857142857143,
0.14285714285714285
] |
[
13,
50,
9,
9,
9,
9,
9
] | 7
| 3
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_4764"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/4202/MD_4894750930211710558774202.json
| null |
{"exfoliation_energy_per_atom": 0.5891092485714293, "material_id": "2dm-4775", "source_id": "mvc-13902", "total_magnetization": -0.0002768, "hash": "4894750930211710558774202191625641555208919831979531136755265189115875359793368420713215787180450607783445022943450196028356346552103770620255833863219656", "id": "MD_4894750930211710558774202"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4914948974556597744901482
|
4914948974556597744901482214573164653682998396192130173674057447734746245143376390480709260877227701264439633349502419996805418759695057958116042853243942
| 2025-04-16T18:09:08
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -52.756664
|
[] |
[] | null | 7.0773
|
unknown
| null | null | null | null | null | null |
CO_1277901397598428901099844
|
12779013975984289010998443000219493485645058184573161816381749296309373168062764859436023515130381852871059375167393744902190626080965676181694952799994931
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3.537938,
0,
0
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[
0,
7.090181,
0
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[
0,
0,
24.348355
]
] |
[
[
0,
3.5450905,
14.455082699690001
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[
1.768969,
0,
14.172860916885002
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[
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[
0,
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0,
0,
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[
1.768969,
4.83798500535,
13.43498401861
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[
0,
5.79728649465,
15.192959597965
]
] |
[
true,
true,
true
] |
F6Sm2
|
F3Sm
|
A3B
|
[
"F",
"Sm"
] |
[
0.75,
0.25
] |
[
62,
62,
9,
9,
9,
9,
9,
9
] | 8
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_868"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/8961/MD_1083691551259355412378961.json
| null |
{"exfoliation_energy_per_atom": 0.2031701650000004, "material_id": "2dm-875", "source_id": "mp-27976", "total_magnetization": -0.0, "hash": "10836915512593554123789617031220641895765039391451308303386823395387067027165921397285617621132035600108801783376542059732703571299225584850027508278658842", "id": "MD_1083691551259355412378961"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4916327512768827899644876
|
4916327512768827899644876296827617023709596082268131018472345165262813072807092143313126407898695084154942515864359018923548874067135417920428111439575068
| 2025-04-16T18:39:28
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -87.985388
|
[] |
[] | null | 2.687
|
unknown
| null | null | null | null | null | null |
CO_1173942834825120444964718
|
11739428348251204449647184463930737067028269686179686189197472131619117154795654873170195198747307746868273641287517160645457730260036424301599986700382524
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|
[
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0.000105,
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[
-2.582613,
4.473531,
0.000292
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[
-0.002244,
0.000253,
24.184471
]
] |
[
[
2.582443129508,
1.491227743954,
2.1504970143659996
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2.5825713817500002,
4.473623528675001,
1.373651253081
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0.8606743940860001,
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4.473461401710001,
0.000282374342
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0.000165131881
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3.0550683862610004,
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0.9476644230649999,
1.4403359527450001,
21.972170615828997
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3.441409063383,
0.102946226454,
21.971823929569
],
[
3.3529656621640003,
2.9313541763320003,
21.97203192987
]
] |
[
true,
true,
true
] |
Ga6O9
|
Ga2O3
|
A3B2
|
[
"Ga",
"O"
] |
[
0.4,
0.6
] |
[
31,
31,
31,
31,
31,
31,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 15
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_2820"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/3809/MD_2584142048823988398053809.json
| null |
{"exfoliation_energy_per_atom": 0.10753790066666724, "material_id": "2dm-2831", "source_id": "mp-985587", "total_magnetization": -5.6e-05, "hash": "2584142048823988398053809223943668661834539978500849617666978841414327553162158572984741240170467873561808872647060954081709311672435090830969787732281113", "id": "MD_2584142048823988398053809"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4919968790655566105552294
|
4919968790655566105552294760372759735784502683307106117465429226316245591523458104235033184568025936213260083319177601588006530016987777436408526509424238
| 2025-04-16T19:02:16
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -11.414264
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_7360102789614061397524383
|
7360102789614061397524383449030978301728292832262833461353870949060749525482050618754784360313287526419478948117588266892143805620601261771767496644062154
|
6420117838893879824814979178288903811011604539060976375676168159494233287017916962339048333236354550738771768523955254252023193234568226760706510589117006
|
[
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0,
0
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[
-1.68978487,
2.92679317,
0
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[
0,
0,
23.541274
]
] |
[
[
1.6897865597848698,
0.9755967477356099,
1.5515206207536
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[
-0.0000016897848701097071,
1.9511964222643898,
21.9897533792464
],
[
0,
0,
0
]
] |
[
true,
true,
true
] |
CTe2
|
CTe2
|
A2B
|
[
"C",
"Te"
] |
[
0.3333333333333333,
0.6666666666666666
] |
[
52,
52,
6
] | 3
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_524"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/6997/MD_1289926775191061413696997.json
| null |
{"exfoliation_energy_per_atom": 0.11250426000000058, "material_id": "2dm-530", "source_id": "mp-1170", "total_magnetization": -5.05e-05, "hash": "12899267751910614136969974098393452731015811396368909301620594935385620054680988764171248971872515361255004991529238284274889934063692981628683790757092700", "id": "MD_1289926775191061413696997"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4926436197313619650814049
|
4926436197313619650814049832044584617416828763618481049520641814954469375414464974855154630859863716110820222669177797161768975721398541600852670611180071
| 2025-04-16T21:17:22
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -16.09624
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_1010603714251709250851287
|
10106037142517092508512875385189740111197967698366712479728320891430708721090145630151137567797165686262274644711519249801427786200596227476694887418666850
|
11005452436063360315387491415119447059190303930393795313990461953506608068342021396674078929908185210581569572751230619250703371231271929257616434587030682
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[
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4.22280173,
0,
0
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[
0,
4.6257385,
0
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[
0,
0,
26.364527
]
] |
[
[
2.111400865,
2.31286925,
10.00535697895944
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[
2.111400865,
2.31286925,
13.4098631886856
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[
0,
0,
12.954663811314399
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[
0,
0,
16.35917002104056
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[
0,
2.31286925,
11.67481208494398
],
[
2.111400865,
0,
14.689714915056019
]
] |
[
true,
true,
true
] |
As2Mg4
|
AsMg2
|
A2B
|
[
"As",
"Mg"
] |
[
0.3333333333333333,
0.6666666666666666
] |
[
12,
12,
12,
12,
33,
33
] | 6
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_4899"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/2807/MD_6460671126733363673662807.json
| null |
{"material_id": "2dm-4910", "source_id": "mp-978259", "total_magnetization": 1.811446, "hash": "6460671126733363673662807858066250971704374248716489990923535792742701309397872558769117871280909893600155881754705259328810578641371388930702442750817686", "id": "MD_6460671126733363673662807"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4926334621869426666099335
|
4926334621869426666099335270383357365361357276172534146724021678996418821293404593742416753776547722673022193680633370465452395834036865808288987132252783
| 2025-04-16T21:13:40
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -18.468501
|
[] |
[] | null | 0.8623
|
unknown
| null | null | null | null | null | null |
CO_1221875176231422477586776
|
12218751762314224775867762647294300841112535237193694337078009950341108856369894184195701100753380239539519386596110490900606710250359348496819930298268100
|
7895801037562611047429179348249322633660672231376654381235285194757575062155838667194618884075146663918521018670069412630258558649632585352500574315648747
|
[
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3.75842469,
0,
0
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[
-1.87921185,
3.25489134,
0
],
[
0,
0,
23.59166513
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[
[
0,
0,
11.795832565
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[
0,
0,
9.99933080410027
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[
0,
0,
13.59233432589973
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[
-0.0000015492121799227348,
2.16992864496378,
11.795832565
]
] |
[
true,
true,
true
] |
O3Te
|
O3Te
|
A3B
|
[
"O",
"Te"
] |
[
0.75,
0.25
] |
[
52,
8,
8,
8
] | 4
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_4871"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/9652/MD_1020299041259253655589652.json
| null |
{"exfoliation_energy_per_atom": 0.048268600000000106, "material_id": "2dm-4882", "source_id": "mvc-14413", "total_magnetization": -0.0, "hash": "10202990412592536555896529539635746680336796511922977792039508980428495528130349106786147371865039471221521760290207519225837010345620017830310001885982727", "id": "MD_1020299041259253655589652"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4926351490913615683182554
|
4926351490913615683182554871996149870699520429470540509460421975222574668011938766775683050875992702852760392333401094427895442838290498961601697732633439
| 2025-04-16T18:05:23
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -74.172494
|
[] |
[] | null | 0.8854
|
unknown
| null | null | null | null | null | null |
CO_1247289822555892594090513
|
12472898225558925940905136266299764610844802551265296769305151794448212563225226990966812262376244270871186137199434889540314018353285626529956508131944050
|
10651213766919997818587119913008781860839587456404989704201478258785209205240377847413115671689608632704579560650426521163179174593587080441497039941951899
|
[
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0.93150356
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[
1.1057119,
4.76003938,
0.55400414
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[
0.12086146,
0.27366297,
25.60225022
]
] |
[
[
4.569509248938183,
0.2734855458973812,
25.08306219472411
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[
4.011939886386848,
2.9246656162289253,
23.908311488658676
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[
1.6768293618907508,
2.4250089288239267,
25.880956690481487
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[
3.5469375755201296,
2.7100295522180464,
22.409626749686804
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[
4.97824432906619,
4.320590979231661,
23.95805894706586
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[
3.129085329220863,
1.5911238981519977,
25.03091251439131
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[
4.924607709485433,
3.5974270304476264,
26.560119182219946
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[
0.5894502227927313,
0.7556049169535173,
0.2292602121020716
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[
2.0210442524951415,
2.366266941219549,
1.777080683945707
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[
2.559082455500639,
3.758291840583751,
24.75885092673571
],
[
0.7640311005313652,
1.7518255316445228,
23.23013372816759
]
] |
[
true,
true,
true
] |
Cr3O8
|
Cr3O8
|
A8B3
|
[
"Cr",
"O"
] |
[
0.2727272727272727,
0.7272727272727273
] |
[
24,
24,
24,
8,
8,
8,
8,
8,
8,
8,
8
] | 11
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_2215"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/7886/MD_7183443844641149708037886.json
| null |
{"exfoliation_energy_per_atom": 0.03761037090909092, "material_id": "2dm-2222", "source_id": "mvc-671", "total_magnetization": 2.0141009, "hash": "7183443844641149708037886676561868366146564044212103779490774822672501263519863670550232450554188702107640564692296674442417385460400511410724247107051042", "id": "MD_7183443844641149708037886"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4923321274694379833543687
|
4923321274694379833543687410645600281554529675859301335318520120423143979747790623331693261956602181362140774154780067961445065902146102464312820450220428
| 2025-04-16T18:02:06
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -31.844128
|
[] |
[] | null | 2.083
|
unknown
| null | null | null | null | null | null |
CO_9532895387184345078194606
|
9532895387184345078194606703863142863416973830533013088276952977321605869730946534859220969966004066625478745314975202845032561834077324662156233080754605
|
7026139185880961196835450229944342582638883667151506140136663339872594510530295419323840767613892763913935522142228168422876197079450522888881776996441237
|
[
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0.895117
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[
2.218824,
3.865036,
0.567028
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[
3.247097,
3.432344,
24.747593
]
] |
[
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5.796244231851,
3.786051403128,
8.09312329264
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[
5.035550423096,
4.791206945352,
11.022338497741
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5.789151190260999,
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1.587089912772,
10.206042538917998
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[
4.5855299492979995,
4.188858119776,
7.337294029882999
]
] |
[
true,
true,
true
] |
O3P2
|
O3P2
|
A3B2
|
[
"O",
"P"
] |
[
0.6,
0.4
] |
[
15,
15,
8,
8,
8
] | 5
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_2440"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/6638/MD_9296084787735927548836638.json
| null |
{"exfoliation_energy_per_atom": 0.08162708600000101, "material_id": "2dm-2448", "source_id": "mp-684654", "total_magnetization": 0.0, "hash": "9296084787735927548836638782731313987495554814614736486759988692398688730577907967880173028938373275513442120186370921352609759613039646642393084240987377", "id": "MD_9296084787735927548836638"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4923782274931582143591729
|
4923782274931582143591729950822655295293695125302197449563809442047003769161812636969549957204721514067421277521489397628440575541021479115705783638499325
| 2025-04-16T16:04:40
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -69.262707
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_2943368964229765921428854
|
2943368964229765921428854657825628292447225575889532437589664340266284624686016631082315390023329840115538699194828596279318437138721200364015483975291669
|
2700434536996795358603646495462592728489869135775468195501128020988931283582566524762655505582818050009527465835437909729464387461437625292096054371008020
|
[
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0
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[
2.87349924,
4.9770463,
0
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[
0,
0,
22.05253452
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[
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3.3180325256820997,
11.02626726
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1.43675233016558,
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2.87350195016558,
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[
1.4904089590525937,
2.457542878289631,
11.976207529591804
]
] |
[
true,
true,
true
] |
Co3FeO8
|
Co3FeO8
|
A8B3C
|
[
"Co",
"Fe",
"O"
] |
[
0.25,
0.08333333333333333,
0.6666666666666666
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[
26,
27,
27,
27,
8,
8,
8,
8,
8,
8,
8,
8
] | 12
| 3
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_4682"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/1960/MD_7090438352786779181401960.json
| null |
{"exfoliation_energy_per_atom": 0.05606599083333297, "material_id": "2dm-4693", "source_id": "mp-765922", "total_magnetization": 6.9657287, "hash": "7090438352786779181401960842723761360904007557477660514139194154711478837610731843145929130592183079788484847287830816370557324895538124522277489327926630", "id": "MD_7090438352786779181401960"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_1002901789059308259450193
|
10029017890593082594501931902792577386076358975277109819568757924642706478162900265676296751911641506861224284514067993166521498634015867918748729464755485
| 2025-04-16T16:10:41
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -24.229362
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_4519345766586091665746981
|
4519345766586091665746981409496691778322926981774247927940570865879457858649391544053736461796062810692288813298909030719074749791871531909495326194130994
|
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|
[
[
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0.000116,
0
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[
-0.000559,
4.167825,
0
],
[
0,
0,
23.289565
]
] |
[
[
0.043326771423999995,
2.127525834624,
1.13061522249
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[
2.127518771424,
0.043671334624,
22.15894977751
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[
0.043630981842,
2.127830094317,
21.311954877589997
],
[
2.127822981842,
0.043975594316999995,
1.97761012241
]
] |
[
true,
true,
true
] |
Te2Y2
|
TeY
|
AB
|
[
"Te",
"Y"
] |
[
0.5,
0.5
] |
[
39,
39,
52,
52
] | 4
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_2414"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/7918/MD_9368293870732357962007918.json
| null |
{"exfoliation_energy_per_atom": 0.00932842499999964, "material_id": "2dm-2422", "source_id": "mp-22562", "total_magnetization": -0.0007041, "hash": "9368293870732357962007918316898396244853992362460912724152002094123457405019838220035479205331651070428188803825396009130924880551077604740093385505835789", "id": "MD_9368293870732357962007918"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_1003039468067462051253581
|
10030394680674620512535819341419089887423589770012417752909701352396704245404327084153753361670198951924301295527935709212313762575436760449787105827838146
| 2025-04-16T16:54:34
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -29.062172
|
[] |
[] | null | 3.6055
|
unknown
| null | null | null | null | null | null |
CO_7437985027604221090842846
|
7437985027604221090842846805196788755542228209595089075183962459172426416851500428524573021793087009369515335808282192407024281225538371754097898763834732
|
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|
[
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7.75880707,
0,
0
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[
0,
7.75880707,
0
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[
0,
0,
26.75385
]
] |
[
[
1.9263947926703842,
0,
1.062531828135
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[
5.832412277329615,
0,
1.062531828135
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[
0,
5.832412277329615,
25.056288788265
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[
0,
1.9263947926703842,
25.056288788265
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[
3.879403535,
0,
2.539402136451
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[
0,
0,
2.562320554515
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[
2.0072424933966326,
5.751564576603366,
26.4363353082
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[
5.751564576603366,
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26.4363353082
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2.0072424933966326,
26.4363353082
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26.4363353082
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[
0,
3.879403535,
23.579418479949002
],
[
0,
0,
23.556500061885
]
] |
[
true,
true,
true
] |
Br8Zn4
|
Br2Zn
|
A2B
|
[
"Br",
"Zn"
] |
[
0.6666666666666666,
0.3333333333333333
] |
[
30,
30,
30,
30,
35,
35,
35,
35,
35,
35,
35,
35
] | 12
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_162"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/7870/MD_8955886712381865718347870.json
| null |
{"material_id": "2dm-165", "source_id": "mp-567471", "total_magnetization": -0.0, "hash": "8955886712381865718347870030783842552707056437433672510474484456071273973664579216859928529319461376080114934625059623398627605807651926105733100168954503", "id": "MD_8955886712381865718347870"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_1003055631174064043551963
|
10030556311740640435519635018786470381022956611624973476395731498458202633492568930715810095530889054684264659777205961888048309653157123162699079487484045
| 2025-04-16T16:20:57
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -10.732506
|
[] |
[] | null | 0.1315
|
unknown
| null | null | null | null | null | null |
CO_1217247479933352876048371
|
12172474799333528760483711560736675939326768537362407633605539500643213349165214571027033313458705254352090698462666378285218429348280778395294245608696238
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11035453683756901966925869320501618875938428029002809295265236711688910398713521877024284504968387099821218071821605633833581197321496113962698956611091075
|
[
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0,
0
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[
0,
4.75928281,
0
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[
0,
0,
22.353476
]
] |
[
[
0,
2.379641405,
10.08389198225844
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[
0,
0,
12.66765829490572
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[
2.376963585,
0,
10.09593134089728
],
[
2.376963585,
2.379641405,
11.85947038193856
]
] |
[
true,
true,
true
] |
Ca3Si
|
Ca3Si
|
A3B
|
[
"Ca",
"Si"
] |
[
0.75,
0.25
] |
[
20,
20,
20,
14
] | 4
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_6058"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/5113/MD_1211144882186344505735113.json
| null |
{"material_id": "2dm-6072", "source_id": "mp-1016240", "total_magnetization": -0.0, "hash": "12111448821863445057351138058068688480124067023894081638108057440893775686681426872830627424819463602355792107574608994333076990957808345508659630046605152", "id": "MD_1211144882186344505735113"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_1003158819739332187509430
|
10031588197393321875094309277818206009645583611037830648318433628447975367619017367166015886710689523171300637725480045424632865576149289006952617833579998
| 2025-04-16T21:52:07
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -133.985437
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_1293683033479114698584832
|
12936830334791146985848329139133079410765953772853155745375254360481123200762127926362407846274593296082991685252234089129217861418083929029527263110030161
|
50608182585446978830151647980319038785018601900546629236322416206585104433160026907143978559621794849247531899627167705487662223323333230667185548686475
|
[
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3.74284,
0,
0
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[
0,
16.407779,
-5.548819
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[
0,
-0.015673,
28.437501
]
] |
[
[
0.93571,
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23.583950926991
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2.80713,
8.811047058895001,
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0.93571,
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23.924296447026002
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[
0.93571,
4.042595551746,
-1.035614447026
]
] |
[
true,
true,
true
] |
Ta6Te18
|
TaTe3
|
A3B
|
[
"Ta",
"Te"
] |
[
0.25,
0.75
] |
[
73,
73,
73,
73,
73,
73,
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_270"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/9862/MD_1202702525584954253299862.json
| null |
{"exfoliation_energy_per_atom": 0.07645064999999995, "material_id": "2dm-274", "source_id": "mp-525", "total_magnetization": 4.2e-06, "hash": "12027025255849542532998629685236644019301260407463327613710127601290089411844653659955536727093510190854355235806213108845653300194415868931066975355216945", "id": "MD_1202702525584954253299862"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4931734828149083040830305
|
4931734828149083040830305668460543330981450323438189291182015002609823199224203879272089117727802974166476113565538195065694467615350704394284224041221593
| 2025-04-16T17:19:09
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -11.31369
|
[] |
[] | null | 0.5957
|
unknown
| null | null | null | null | null | null |
CO_9765921762800235612922681
|
9765921762800235612922681284046364136282933106071889094746240822851010369079883233073545668110999449615617215727307992218827361093056440941291756562477665
|
11840158299855240133745847290581122620743962654008150690797473453743121890211030086949698953166226892473158582642345111297977581766390792561248234650405966
|
[
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0,
0
],
[
-2.23931241,
3.8786024,
0
],
[
0,
0,
28.110702
]
] |
[
[
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2.5857362262008,
0.54365366789748
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[
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2.5857362262008,
3.45073653279252
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[
0,
0,
27.23122579840866
],
[
0,
0,
4.87386640228134
]
] |
[
true,
true,
true
] |
Te2Tl2
|
TeTl
|
AB
|
[
"Te",
"Tl"
] |
[
0.5,
0.5
] |
[
81,
81,
52,
52
] | 4
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_720"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/8609/MD_1061660089269221667108609.json
| null |
{"exfoliation_energy_per_atom": 0.09633715875000015, "material_id": "2dm-727", "source_id": "mp-1943", "total_magnetization": -0.0, "hash": "10616600892692216671086099352652937536941638825134126718284731691267593572430067533178856168033229466025050629161065598872334981982502312377123868112728667", "id": "MD_1061660089269221667108609"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4931884147689700494073471
|
4931884147689700494073471658786888332089744125193171845205382391651076441278308514915717012669674627547450938999168496100263245924903807679227521369503954
| 2025-04-16T20:21:52
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -9.301957
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_1224213240695598746573868
|
12242132406955987465738682072303717040518080670887102702544838389355135675018864417303057224017822406053250826774803183579228157285403077883948227476624966
|
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|
[
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0.00000193,
0.00001327
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[
-2.18421882,
3.78904347,
0.00000789
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[
0.00006064,
0.00007662,
20
]
] |
[
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2.18425009977901,
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8.946845273075093
],
[
0.000029487605440118352,
2.52702075810989,
8.946695887004166
]
] |
[
true,
true,
true
] |
PtSb
|
PtSb
|
AB
|
[
"Pt",
"Sb"
] |
[
0.5,
0.5
] |
[
51,
78
] | 2
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_2903"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/4282/MD_3355092149698235840564282.json
| null |
{"material_id": "2dm-6457", "source_id": "mp-1067644", "total_magnetization": -1.3e-06, "hash": "3355092149698235840564282173280101313242703714995125703357295621429200065605178473615013462576433611137326354934757022896933137412149538995944908785769771", "id": "MD_3355092149698235840564282"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4936325870081622083438184
|
4936325870081622083438184120355975662819469464658662250802870573174698707341917785674416564580554798605984951038433530969468340062054751345040480746831976
| 2025-04-16T20:20:45
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -19.721855
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_5523527909760472166199636
|
5523527909760472166199636748278431054216067617383988376647575518917270431406133977373638508165492850069401405144121242086537444066546068761779228281786887
|
878538718093506742322813306445697232110688901089982760770507427807629790845211128072296577036769808093518501696463231022388926675695940730577770734414028
|
[
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0,
0
],
[
0,
4.94185933,
0
],
[
0,
0,
27.061876
]
] |
[
[
1.492773575,
1.2354648325,
16.89348136369764
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[
1.492773575,
3.7063944975,
15.27656782942388
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[
1.492773575,
1.2354648325,
11.785308170576121
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[
1.492773575,
3.7063944975,
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[
0,
1.2354648325,
14.34069942017884
],
[
0,
3.7063944975,
12.72117657982116
]
] |
[
true,
true,
true
] |
Mg4Ti2
|
Mg2Ti
|
A2B
|
[
"Mg",
"Ti"
] |
[
0.6666666666666666,
0.3333333333333333
] |
[
12,
12,
12,
12,
22,
22
] | 6
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_3320"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/8709/MD_7181840072957669738678709.json
| null |
{"exfoliation_energy_per_atom": 0.2843119425, "material_id": "2dm-3331", "source_id": "mp-1094344", "total_magnetization": 1.0695728, "hash": "7181840072957669738678709991316785784299344346560369816407379301007530875251901201891482585383379013408786646004704679056363487175925012905189127430092335", "id": "MD_7181840072957669738678709"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4936229318672898308460664
|
493622931867289830846066406689705130950705403046166510766277332872774604981625666311342323704170385542525396419277093622484004915020240717437140198546801
| 2025-04-16T15:44:14
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -11.748472
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_1152826800569497809576128
|
11528268005694978095761281279785308627962409837035035233644800425542267955541526852289821244056566206897233179210795255464484387693011080719168943437495267
|
5944058256565926628869903306030295002595776485770590841398831663448763285920883460176618855284294703150865680217141119381638994807774338200911774461363620
|
[
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0,
0
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[
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4.14076249,
0
],
[
0,
0,
24.159589
]
] |
[
[
0,
0,
18.058612201877867
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[
0,
0,
14.427023476425129
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[
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2.76050970692083,
16.242805759357
],
[
2.3906728073370807,
1.38025278307917,
16.242805759357
]
] |
[
true,
true,
true
] |
Au2Sr2
|
AuSr
|
AB
|
[
"Au",
"Sr"
] |
[
0.5,
0.5
] |
[
38,
38,
79,
79
] | 4
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_384"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/9810/MD_8385876366087759291229810.json
| null |
{"material_id": "2dm-389", "source_id": "mp-30428", "total_magnetization": 0.1144372, "hash": "8385876366087759291229810291670133779033173302385057008535058891600341454154568995819732403119704589421457041688812696602671245962011736042909642491675943", "id": "MD_8385876366087759291229810"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_1004917680497665875408649
|
10049176804976658754086499152687327626112608603878198453640458370154371454965351649194856003087501611272576734048485094883938426799995325195472585745862679
| 2025-04-16T15:44:13
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -15.919066
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_2857588949993543813801606
|
2857588949993543813801606696833876575432268841130652801057246564920488783835479852030367712342722247350221552219012094393627974593443575282519532878781899
|
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[
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0,
0
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[
0,
3.34065581,
0
],
[
0,
0,
22.400849
]
] |
[
[
0,
1.670327905,
11.2004245
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[
1.32749507947941,
1.670327905,
12.40568381174882
],
[
1.32772842052059,
1.670327905,
9.99516518825118
]
] |
[
true,
true,
true
] |
CoO2
|
CoO2
|
A2B
|
[
"Co",
"O"
] |
[
0.3333333333333333,
0.6666666666666666
] |
[
27,
8,
8
] | 3
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_3005"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/6181/MD_8033949731750075902906181.json
| null |
{"exfoliation_energy_per_atom": -2.1280000000345467e-05, "material_id": "2dm-3016", "source_id": "mp-1063268", "total_magnetization": 2.9535744, "hash": "8033949731750075902906181318057656665501237064313751246760255090072065563835255999230266511925104195528564494596887212730475050433813168500488496396722957", "id": "MD_8033949731750075902906181"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_1005133813325537478507922
|
10051338133255374785079224760360201551598864937324228288510000493378347555648265841155204025954525644507742940651494007848750736601490833370888873843804753
| 2025-04-16T17:41:42
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -86.843147
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_1114805938167313409215164
|
11148059381673134092151640578514676075702013548923465496690352742619197778654786023601475308237666058004506365799047697373968406758450592054556903665961087
|
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|
[
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[
1.48742356,
16.81827707,
4.37677937
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[
0.00635677,
0.01840694,
26.84128838
]
] |
[
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1.7758781303886673,
9.74140145733794,
28.63870571170039
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[
3.6055913319380117,
7.094604537565151,
3.0048243110385657
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[
1.4028900842732706,
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5.162858898659987
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3.978298806132793,
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26.482985988429057
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[
3.4833501001296376,
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4.10991140632872
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[
1.8979700399601136,
4.966975304076669,
27.53483956682409
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[
-0.00012043284667329998,
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0.0006179159686312
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[
1.465468212717808,
13.971458933309258,
4.575448044804968
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[
3.9158434755607554,
2.8646942618088467,
27.06936094593707
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[
3.197187764127666,
10.849614223129018,
6.747901582193012
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[
2.1842634292627894,
5.986304633063061,
24.896554597604762
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[
3.6551131381338635,
16.71166000319445,
29.44656011269985
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[
1.7262618468730726,
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2.1977131141416106
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3.2749828223067246,
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[
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3.431025142283645
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[
3.7905563611905997,
11.983451091338555,
28.214080609739966
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[
2.106312137630277,
9.706906920166501,
25.619067500228198
]
] |
[
true,
true,
true
] |
Br10Y7
|
Br10Y7
|
A10B7
|
[
"Br",
"Y"
] |
[
0.5882352941176471,
0.4117647058823529
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[
39,
39,
39,
39,
39,
39,
39,
35,
35,
35,
35,
35,
35,
35,
35,
35,
35
] | 17
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_423"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/0159/MD_6141428379223067653880159.json
| null |
{"exfoliation_energy_per_atom": 0.0774980111764707, "material_id": "2dm-428", "source_id": "mp-27513", "total_magnetization": 0.0578514, "hash": "6141428379223067653880159417971667708500876449280191050391855774285447347189919342710385083183880283229617268196531646839266045441676634966268144279885236", "id": "MD_6141428379223067653880159"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_1005531229422504318786198
|
10055312294225043187861980483161619038755890143290221205344326573701518594913037239834985141342583490691051343733973369572267850183379114960498208769027239
| 2025-04-16T15:09:27
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -11.812337
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_1199387556467972977924789
|
1199387556467972977924789540639058511438363770223444273291200230147250343132201243868665394695535385678245048999321013815062626317884139967086203702418360
|
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|
[
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0
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[
-3.37874376,
7.54626169,
0
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[
0,
0,
20
]
] |
[
[
0,
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10
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[
3.58758104,
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10
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[
2.7054534245718687,
2.304265984740853,
10
],
[
1.0909648954281312,
4.517566455259147,
10
]
] |
[
true,
true,
true
] |
KSb3
|
KSb3
|
A3B
|
[
"K",
"Sb"
] |
[
0.25,
0.75
] |
[
19,
51,
51,
51
] | 4
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_6165"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/3672/MD_7013530201987456952273672.json
| null |
{"material_id": "2dm-6183", "source_id": "mp-1064272", "total_magnetization": -1.7e-06, "hash": "7013530201987456952273672540348745354211762899726898260423416869601790701253433941168534012099131823666337857384235854787841104685993351240423500681236983", "id": "MD_7013530201987456952273672"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_1005514697924509553201650
|
10055146979245095532016501680619349929165652549856670905201661221450684225023348638511692020763472319144848417900924956203520589586492434091772287690837041
| 2025-04-16T17:15:37
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -50.408586
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_8939165461209914007383262
|
8939165461209914007383262520200319964179620723725282102983973001542823338808596027491756233282844219702039736443596613520712666724504383475320205865404198
|
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|
[
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0
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[
0,
11.18092075,
0
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[
0,
0,
29.060994
]
] |
[
[
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[
0,
9.743464569532318,
16.066881715784458
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] |
[
true,
true,
true
] |
Au2Bi12
|
AuBi6
|
A6B
|
[
"Au",
"Bi"
] |
[
0.14285714285714285,
0.8571428571428571
] |
[
83,
83,
83,
83,
83,
83,
83,
83,
83,
83,
83,
83,
79,
79
] | 14
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_2142"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/1412/MD_5126802950990189343781412.json
| null |
{"exfoliation_energy_per_atom": 0.23409750249999983, "material_id": "2dm-2149", "source_id": "mp-608366", "total_magnetization": -3.9e-06, "hash": "5126802950990189343781412714318605400401057900982603956342130591521552804906179407332069395185173550867997337507189120032942575921084934818906266188232950", "id": "MD_5126802950990189343781412"}
|
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|
PO_1004378507274767887027147
|
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| 2025-04-16T18:34:37
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -61.351866
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_2431946710719439519729160
|
2431946710719439519729160875405953210832648730174454502176977455607249188044817413792481444556296062665901043452382345613332629313460540163999726005232291
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7455928147442271938955896966985735363354521539204501214319169162258479321983220934932910298617562988261062803007909970926424868586259155481878844402337285
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[
0.0160284,
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25.46311354
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[
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2.1972292870156522,
2.0336454472502568,
23.722567962113306
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] |
[
true,
true,
true
] |
N6Pb6
|
NPb
|
AB
|
[
"N",
"Pb"
] |
[
0.5,
0.5
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[
82,
82,
82,
82,
82,
82,
7,
7,
7,
7,
7,
7
] | 12
| 2
| 0
|
[
0,
0,
0
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[
"twodmatpd_328"
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data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/1031/MD_1097278761382668937071031.json
| null |
{"material_id": "2dm-333", "source_id": "mp-9548", "total_magnetization": -1.9e-06, "hash": "10972787613826689370710313286102954193991372783140345647404071983327011715918106424345426382039814511262928694762857364628505102757423995147708742119016489", "id": "MD_1097278761382668937071031"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_1004670060133513774532994
|
10046700601335137745329946988548283942963625061386337544925349337090853307091375977612354340947676849620883710708143139178837548985757190481898314968194465
| 2025-04-16T17:18:49
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -64.738305
|
[] |
[] | null | 3.702
|
unknown
| null | null | null | null | null | null |
CO_2251760784737086626484019
|
2251760784737086626484019906974259000292318311576322472055854942490963593706273976724278848922705175030987270403892004031803732152975295682013728465812066
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[
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[
3.195136305,
3.2314913483990186,
14.033046174263479
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[
true,
true,
true
] |
Cl10La2Sr2
|
Cl5LaSr
|
A5BC
|
[
"Cl",
"La",
"Sr"
] |
[
0.7142857142857143,
0.14285714285714285,
0.14285714285714285
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[
38,
38,
57,
57,
17,
17,
17,
17,
17,
17,
17,
17,
17,
17
] | 14
| 3
| 0
|
[
0,
0,
0
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[
"twodmatpd_5249"
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data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/5164/MD_1005595267927362827295164.json
| null |
{"material_id": "2dm-5260", "source_id": "mp-754999", "total_magnetization": 0.0, "hash": "10055952679273628272951642698094518284376923096341841763342341155195110018867796695282731354809265701486148942561568335463112642195050550092544774682465511", "id": "MD_1005595267927362827295164"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_1004868894271299594217383
|
10048688942712995942173830425644448750588766642000660591001114477989840721655159203837570886420945219317305812213879743545400120625698629352458085564113826
| 2025-04-16T21:23:51
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -15.589989
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_1276326231029062787148752
|
12763262310290627871487528074938893191434165617766271212958101473622210990448002171813302844470834416060572288296601614027858711083028019416559013174562838
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0
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[
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0
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0,
22.695846
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[
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2.0526946193595403,
1.1851214815440199,
20.95470489646866
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0,
0,
0
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[
true,
true,
true
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La2Si
|
La2Si
|
A2B
|
[
"La",
"Si"
] |
[
0.6666666666666666,
0.3333333333333333
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[
57,
57,
14
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| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_300"
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data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/1202/MD_1037365403463349625661202.json
| null |
{"material_id": "2dm-304", "source_id": "mp-1334", "total_magnetization": 0.3011068, "hash": "10373654034633496256612026123910164121889647418550463297559924493273492557012122297694060063522443553941360969626518142995014185409729665546420139370859078", "id": "MD_1037365403463349625661202"}
|
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|
PO_1003467374748054014123684
|
10034673747480540141236846509254630173189316586436220148372442242701708405665872460610921801833629250561662555599833745899810681913553558170153231605656728
| 2025-04-16T16:57:33
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -79.820406
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_1087352116611378585929019
|
10873521166113785859290196361536960146139681159573697245896859662208626372115500949595538740925545015630535344746468674424659586803790039724209746002825365
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3396044811615613275194421562640459883702089103547497731019213618672196984694175383977801311520766527725837621798983850135319755388052301653810236297502871
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0
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1.79006453,
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0
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60.338868
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[
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31.2100109650374
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36.3662900485812
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[
5.487600618847167,
4.027863527563006,
34.815412192150795
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] |
[
true,
true,
true
] |
Bi3F12Rb3
|
BiF4Rb
|
A4BC
|
[
"Bi",
"F",
"Rb"
] |
[
0.16666666666666666,
0.6666666666666666,
0.16666666666666666
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[
37,
37,
37,
83,
83,
83,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9
] | 18
| 3
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_5906"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/8756/MD_1098952850396412027248756.json
| null |
{"exfoliation_energy_per_atom": 0.14566601055555495, "material_id": "2dm-5917", "source_id": "mp-675881", "total_magnetization": 0.1157597, "hash": "1098952850396412027248756483260006936056734242150803983988731082119141242506671418393933268959099391338522711878052981112651299645616101305736753305017084", "id": "MD_1098952850396412027248756"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_1003720554702859627773016
|
10037205547028596277730168732095667327489511395567821302449140904190056707404981738929478114375282406197530773624516140569050701787119631661214473444835526
| 2025-04-16T20:40:01
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -131.353685
|
[] |
[] | null | 1.0398
|
unknown
| null | null | null | null | null | null |
CO_4623369623902088318668455
|
4623369623902088318668455123138827735371436773941644820940865134134914229739246588888165857991202781529080470009435766451992509308144170281440393550865322
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0
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[
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5.363655030316,
3.096701236629,
3.701786409824
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[
0,
0,
2.494902749536
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] |
[
true,
true,
true
] |
B18Te9
|
B2Te
|
A2B
|
[
"B",
"Te"
] |
[
0.6666666666666666,
0.3333333333333333
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[
5,
5,
5,
5,
5,
5,
5,
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5,
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5,
5,
5,
5,
5,
5,
5,
5,
52,
52,
52,
52,
52,
52,
52,
52,
52
] | 27
| 2
| 0
|
[
0,
0,
0
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[
"twodmatpd_205"
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data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/4654/MD_1194787098243760290564654.json
| null |
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|
PO_1003738985903194249698971
|
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| 2025-04-16T20:10:41
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -70.588483
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_3309018327803074939918908
|
3309018327803074939918908748247592543843648471726768346196890439347599099420870913155452244678874742196396314423949933691037236440085045055412942593628846
|
2943600230228246826362134508745933684429198679160511439176325719182207762661024295434716598967559292028337358869183424624743542828941997948136129866624305
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0
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15.19287468,
0
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[
0,
0,
24.599429
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[
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0,
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[
1.868010575,
9.810657075089235,
13.689638325198121
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] |
[
true,
true,
true
] |
Ni2Ta2Te10
|
NiTaTe5
|
A5BC
|
[
"Ni",
"Ta",
"Te"
] |
[
0.14285714285714285,
0.14285714285714285,
0.7142857142857143
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[
73,
73,
28,
28,
52,
52,
52,
52,
52,
52,
52,
52,
52,
52
] | 14
| 3
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_4977"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/9978/MD_1294908896062904673089978.json
| null |
{"exfoliation_energy_per_atom": 0.07373581571428556, "material_id": "2dm-4988", "source_id": "mp-8998", "total_magnetization": 7e-07, "hash": "12949088960629046730899786383811523999729512189242344943221492066773050812449666908694741615179505770757044420734221390566062476285197899923757126923127023", "id": "MD_1294908896062904673089978"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_1003757336570581696367631
|
10037573365705816963676311672702251866520723167823481233267636759270814198842287367733176692104399312836279131649107696347377487010889807656734181389159435
| 2025-04-16T21:13:40
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -45.637312
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_1040871480844045463944083
|
10408714808440454639440831440747324386611701681520674426404798471956441769067473315714392393789506316840324186789231369032551769645328408226203172917284995
|
13224490727614972135317523852899383466294749411880954382758338709759237527120342775930701174357904048557928412825201646057275460189708852669415666922000531
|
[
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0
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[
0,
6.703957,
0
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[
0,
0,
22.924308
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[
[
3.3519785,
0,
0
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[
0,
3.3519785,
0
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[
2.2092421016509998,
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1.143902886867,
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1.143902886867,
21.442870444116
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[
4.494714898349,
4.495881386867,
21.442870444116
]
] |
[
true,
true,
true
] |
Ir2Pb8
|
IrPb4
|
A4B
|
[
"Ir",
"Pb"
] |
[
0.2,
0.8
] |
[
77,
77,
82,
82,
82,
82,
82,
82,
82,
82
] | 10
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_1538"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/2371/MD_1139815027580033728472371.json
| null |
{"material_id": "2dm-6413", "source_id": "mp-1080586", "total_magnetization": -2e-07, "hash": "11398150275800337284723718844324959700791489854837952422512321151601578457678211357704845549792296212135444057695308939374372479095139945611819968062384563", "id": "MD_1139815027580033728472371"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_1003905730235566048315296
|
10039057302355660483152966664994362508927255267930414041993203996325286126746112382378393593521316377093828255900009317249527932135842176722032139212426647
| 2025-04-16T21:22:14
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -79.236357
|
[] |
[] | null | 4.134
|
unknown
| null | null | null | null | null | null |
CO_3251382808016413216880533
|
3251382808016413216880533212267826899914545618027572142732665026926503565012739797266418150869764522643410590344884851918239695807365574764724081881311878
|
2763545537934371912753311027579463648824883110536662142526372684545824059711823877367460760372579809904106676673875821137008662058784647003024819690536808
|
[
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0,
0
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[
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4.76968565,
0
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[
0,
0,
26.106037
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[
[
0,
0,
13.0530185
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[
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14.70134453906705
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[
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[
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14.25839844914102
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[
2.7537791624622083,
3.055042087474213,
14.25839844914102
]
] |
[
true,
true,
true
] |
H2O6P2Zr
|
H2O6P2Zr
|
A6B2C2D
|
[
"H",
"O",
"P",
"Zr"
] |
[
0.18181818181818182,
0.5454545454545454,
0.18181818181818182,
0.09090909090909091
] |
[
40,
15,
15,
1,
1,
8,
8,
8,
8,
8,
8
] | 11
| 4
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_3741"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/7433/MD_2345053825915085028677433.json
| null |
{"exfoliation_energy_per_atom": 0.04816815272727215, "material_id": "2dm-3752", "source_id": "mp-24030", "total_magnetization": -0.0, "hash": "2345053825915085028677433458068577355050041808649689212365512730524503909436683949283457014934393053473742443049984859211888351076329251963294371819265676", "id": "MD_2345053825915085028677433"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_1003994103160893020859364
|
10039941031608930208593649722893359959856839000372583543034146448596380952605484984833665503497782156126780499902803892456182491944766981409487833661810892
| 2025-04-16T16:26:45
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -39.703356
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_5203659532421666759203525
|
5203659532421666759203525897529873680123420567299500453974426503298725438098818267238145129853541276631278041562171027794616201682241730976900610012078366
|
8160859053370761156320420884806234121346196181360171319030111320104462157774388319780568134681499983548362787256935153641051563517270151983178546546812546
|
[
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0,
0
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[
3.49836216,
6.05934019,
0
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[
0,
0,
21.17338057
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] |
[
[
0,
0,
11.007528586000817
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[
3.49835833163817,
2.01977804355327,
10.165851983999183
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[
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11.206369073336521
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11.206369073336521
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6.996727005099228,
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[
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9.967011496663478
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[
8.621478641316825,
3.101511389501295,
11.206369073336521
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] |
[
true,
true,
true
] |
Ge2P6
|
GeP3
|
A3B
|
[
"Ge",
"P"
] |
[
0.25,
0.75
] |
[
32,
32,
15,
15,
15,
15,
15,
15
] | 8
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_5492"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/8611/MD_1137656032398914159598611.json
| null |
{"exfoliation_energy_per_atom": 0.34982971625000037, "material_id": "2dm-5503", "source_id": "mp-7542", "total_magnetization": 1.51e-05, "hash": "1137656032398914159598611478561360575790112206752273148282589141351432244649337512399990730862946454959563038148413325286198512513691507293154098383488905", "id": "MD_1137656032398914159598611"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_1004134409607539516315647
|
10041344096075395163156475670916046113828713933111023270546972672134053004612853073845115754402392582938366810048448242290316763478005832001937169519448651
| 2025-04-16T20:11:54
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -6.16777
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_8140218459576113882604088
|
8140218459576113882604088182503765021525289664709104488802353266964705046146474155581572320961785265210649545646703202630996289672285227519390017939949135
|
10880510120591572933312793356199006194924455682775991442854095357133914976038968672028381161891325193931608254801773435816577751345155514175933213040468290
|
[
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0,
0
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[
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4.12216297,
0
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[
0,
0,
20
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] |
[
[
-0.000002376597339732561,
2.74811002072099,
7.70726
],
[
0,
0,
7.70726
]
] |
[
true,
true,
true
] |
InSb
|
InSb
|
AB
|
[
"In",
"Sb"
] |
[
0.5,
0.5
] |
[
49,
51
] | 2
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_938"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/5181/MD_3931128281313908024055181.json
| null |
{"material_id": "2dm-6392", "source_id": "mp-7991", "total_magnetization": 1.6e-06, "hash": "3931128281313908024055181445818960041800327954250699541485423515353988035338705359210432306059678235073370349995318172483855743284329722723206201171367359", "id": "MD_3931128281313908024055181"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4960533380154460758178791
|
4960533380154460758178791877930559797875436372934182955792768084962155824961614705741529489511940298147135607211013605995729490443560603853058608900288085
| 2025-04-16T17:14:02
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -19.867043
|
[] |
[] | null | 0.2847
|
unknown
| null | null | null | null | null | null |
CO_1150777847175284754960948
|
11507778471752847549609485558702988106733919377304915298174173659307180498569191576384065627742316977442537969207233612110121024791213571150008313154084025
|
5296954551341601650971089493231057404404579363153453943295537468991110172807552192930534883726122788997274637178874997752473339271000784782741220357003361
|
[
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7.35641282,
0,
0
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[
0,
5.24754487,
0
],
[
0,
0,
24.809388
]
] |
[
[
3.67820641,
0,
12.404694
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[
0,
2.623772435,
12.404694
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[
1.839103205,
3.9356586525,
13.916415603228598
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[
1.839103205,
1.3118862175,
10.8929723967714
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[
5.517309615,
1.3118862175,
10.8929723967714
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[
5.517309615,
3.9356586525,
13.916415603228598
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[
3.67820641,
1.783455787733576,
14.24207504243508
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[
3.67820641,
3.464089082266424,
10.56731295756492
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[
0,
4.4072282227335755,
10.56731295756492
],
[
0,
0.840316647266424,
14.24207504243508
]
] |
[
true,
true,
true
] |
Cd2Cl8
|
CdCl4
|
A4B
|
[
"Cd",
"Cl"
] |
[
0.2,
0.8
] |
[
48,
48,
17,
17,
17,
17,
17,
17,
17,
17
] | 10
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_3209"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/0809/MD_6558576399710864909210809.json
| null |
{"exfoliation_energy_per_atom": 0.0747466859999999, "material_id": "2dm-3220", "source_id": "mp-1080124", "total_magnetization": 4.0042346, "hash": "6558576399710864909210809299227162491680492893968903709094655221845900963774636056806533118331126534728328544257070702755061586809879360901684777911336382", "id": "MD_6558576399710864909210809"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4957993678765623519137462
|
4957993678765623519137462717811373331036276527893177117851063380131374368225521360362216690346076780004614066237000647210443267251339792249422640128911418
| 2025-04-16T16:23:01
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -15.676107
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_8056479554126254095933115
|
8056479554126254095933115648425570269885079650960598771014993577245105733990839890625937187339134567247104455479175781510218275390862939793879395264516132
|
128578023535008650198546353282808000829582876854397528554334157041055254476069182781777844573598164328774037570589763252131664179143418854154331853687257
|
[
[
6.28967232,
1e-8,
0
],
[
-3.14483665,
5.44701621,
0
],
[
0,
0,
20
]
] |
[
[
3.1448391415029904,
1.8156702609946,
5.74646
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[
-1.6347358430196105e-7,
1.8172311529611653,
5.74646
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[
-1.571068284306273,
4.538400636021564,
5.74646
],
[
1.571067467779858,
4.538400641017271,
5.74646
]
] |
[
true,
true,
true
] |
Pb3Sc
|
Pb3Sc
|
A3B
|
[
"Pb",
"Sc"
] |
[
0.75,
0.25
] |
[
21,
82,
82,
82
] | 4
| 2
| 0
|
[
0,
0,
0
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[
"twodmatpd_1761"
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data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/5521/MD_1307819275070736489345521.json
| null |
{"exfoliation_energy_per_atom": 0.7146881650000001, "material_id": "2dm-1771", "source_id": "mp-972889", "total_magnetization": 1e-07, "hash": "13078192750707364893455219476179634751458047870309639147781051664850950388854415834634803465871656500804809340201180803317294632903154017524532606133594675", "id": "MD_1307819275070736489345521"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4957604144427371776402909
|
4957604144427371776402909756868077970830564770507190106664016188921603207096739772529510938617587831813375229285444785113906871537249080481667284706915208
| 2025-04-16T17:47:31
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -102.51561
|
[] |
[] | null | 0.1344
|
unknown
| null | null | null | null | null | null |
CO_6816669331141645912749506
|
6816669331141645912749506021301513942865141894554248615621905140550812161869950832533447660107490493821029477873965859947991964262992640547438155447728345
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0
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[
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[
1.272174038608014,
9.422496733671764,
11.451870424330242
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[
true,
true,
true
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Cu4O12Se4
|
CuO3Se
|
A3BC
|
[
"Cu",
"O",
"Se"
] |
[
0.2,
0.6,
0.2
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[
29,
29,
29,
29,
34,
34,
34,
34,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 20
| 3
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_5759"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/4659/MD_7248881502837813586284659.json
| null |
{"material_id": "2dm-5770", "source_id": "mp-22688", "total_magnetization": -6e-07, "hash": "7248881502837813586284659856887539514915807287224544388083531170717996841748403209606264574859382938791438651821672212943698501874971969710350807795627895", "id": "MD_7248881502837813586284659"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4957289484209676121797184
|
4957289484209676121797184098623607884031817715360285168975864256140441503829794011722837071472314702606204847150027454655313725608385219761481576382073917
| 2025-04-16T18:24:08
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -16.949875
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_8698242922543070659316717
|
8698242922543070659316717154225754356916640283153195545799318583263054606910753158308422308504536808821186587959778128952269305697436254288900545244641860
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0
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24.981638
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[
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2.604042635354,
0
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1.3020193646459999,
0
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[
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2.604042635354,
2.710582667914
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[
true,
true,
true
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IrPb3
|
IrPb3
|
A3B
|
[
"Ir",
"Pb"
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[
0.25,
0.75
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[
77,
82,
82,
82
] | 4
| 2
| 0
|
[
0,
0,
0
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[
"twodmatpd_2796"
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data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/7316/MD_2598803169831525782567316.json
| null |
{"exfoliation_energy_per_atom": 0.56860921, "material_id": "2dm-2807", "source_id": "mp-29663", "total_magnetization": 0.0094791, "hash": "2598803169831525782567316279938729034091636356007948753961225281837358308305261356905798225544382071190929310601624639772084052950735896063920432528779100", "id": "MD_2598803169831525782567316"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4969131228111553572327990
|
4969131228111553572327990916910190291679919078603200312219797671302420415071995442124348351521584927979412605822618374367307479159426222679273606714616704
| 2025-04-17T18:26:41
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -9.461274
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_2506344314180283754997674
|
2506344314180283754997674272305458978468361313114915610441292947387267364303703795186365188378206887230413149821958596362499892600810708234575955021866500
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0
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[
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0
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[
0,
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24.664279
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[
[
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22.73671996723385
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[
1.71445338111833,
0.98983833349401,
1.9275590327661498
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[
true,
true,
true
] |
BePb2
|
BePb2
|
A2B
|
[
"Be",
"Pb"
] |
[
0.3333333333333333,
0.6666666666666666
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[
4,
82,
82
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| 2
| 0
|
[
0,
0,
0
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[
"twodmatpd_160"
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data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/0091/MD_8138154823529703580510091.json
| null |
{"exfoliation_energy_per_atom": 0.23395421999999977, "material_id": "2dm-163", "source_id": "mp-7655", "total_magnetization": -2e-07, "hash": "8138154823529703580510091463281058966723289864518668388242576393057367875803833022066550826634517031898934104480766762427402301988072758223717225315051453", "id": "MD_8138154823529703580510091"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4959432352636386713278067
|
4959432352636386713278067713334043929872291789543228682781871726767182021613354611811328570790821387373134909648028048461004953043487637801455151291962674
| 2025-04-16T15:42:26
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -138.83649
|
[] |
[] | null | 2.6005
|
unknown
| null | null | null | null | null | null |
CO_9790734947119957985474702
|
979073494711995798547470237016002006619464902120325357580998321776058692091628163972305317481172181703897317872700609505133773522742452316138586207155289
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8.16759522,
0
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[
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22.777848
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[
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11.120288438485439
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4.7155588511031,
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12.77577423110016
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6.276627165472915,
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[
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10.696358520433439
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3.792775783484947,
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12.08148947956656
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[
11.872193833519999,
7.91995740834745,
12.08148947956656
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] |
[
true,
true,
true
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O18Te8
|
O9Te4
|
A9B4
|
[
"O",
"Te"
] |
[
0.6923076923076923,
0.3076923076923077
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[
52,
52,
52,
52,
52,
52,
52,
52,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 26
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_3513"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/8218/MD_8150460283421658472488218.json
| null |
{"exfoliation_energy_per_atom": 0.11059529730769224, "material_id": "2dm-3524", "source_id": "mp-27127", "total_magnetization": -0.0, "hash": "8150460283421658472488218265536048925547016471465674072385904138294473341190748182944093507882750234968531366918263032803817175505084312420176450389957811", "id": "MD_8150460283421658472488218"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4965007237958389023593562
|
4965007237958389023593562938051974306064891533676889849150807183554854861677069577485518435573282091449027371294778824836723676918905945812274191487080083
| 2025-04-16T21:37:22
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -36.415937
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_9002857545596582083714213
|
9002857545596582083714213311831242499463579543765643587163546611063860901842580666849321877795682241225339073160989064721924625733233159244355339241416845
|
7072812684902727126962130044655240877350015569313848980479979018025578115744988531629644978006424645180521800236613862460550472183505184984274384972867861
|
[
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0,
0
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[
0,
4.41176623,
0
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[
0,
0,
29.512985
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[
[
1.8502076849086067,
0,
16.91864181843575
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[
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2.205883115,
12.59434318156425
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[
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4.058925734235104,
0,
10.002192622977
],
[
1.8540411490130937,
2.205883115,
19.510792377023
]
] |
[
true,
true,
true
] |
Pr2Te6
|
PrTe3
|
A3B
|
[
"Pr",
"Te"
] |
[
0.25,
0.75
] |
[
59,
59,
52,
52,
52,
52,
52,
52
] | 8
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_3056"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/8137/MD_2040030889858094095908137.json
| null |
{"exfoliation_energy_per_atom": 0.05652472374999995, "material_id": "2dm-3067", "source_id": "mp-12351", "total_magnetization": 1.66e-05, "hash": "2040030889858094095908137181557417856139360523343113717409506691524423726151653149638002647302279691997832946931868568135237941546471673910159819734330858", "id": "MD_2040030889858094095908137"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4941614414083519182744114
|
4941614414083519182744114601778828016476467940231607417487741459555963937416531271148193208859439717340309172627371088052777293026180843048610632497384052
| 2025-04-16T21:14:40
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -44.307391
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_5612813871537433569095386
|
5612813871537433569095386993052576885422989163922444503602768783169951716194425868008976821968036386381262264096324977724911639652429812357899854519106959
|
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|
[
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[
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0.000007
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[
0.000135,
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21.198253
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[
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0.0000647190269998055,
3.758502761341,
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[
3.255134215304,
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3.732173968459,
10.748678144731
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[
4.859680451951,
0.95291710579,
10.748674693921
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] |
[
true,
true,
true
] |
B2P6
|
BP3
|
A3B
|
[
"B",
"P"
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[
0.25,
0.75
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[
5,
5,
15,
15,
15,
15,
15,
15
] | 8
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_1903"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/0071/MD_1001692280270036332500071.json
| null |
{"exfoliation_energy_per_atom": 0.15574661249999977, "material_id": "2dm-1910", "source_id": "mp-20050", "total_magnetization": -0.0168681, "hash": "10016922802700363325000711307487850620723329350492796428653495821162166133620270271279944641365232321101193079284949203289931028468928601450648865338566602", "id": "MD_1001692280270036332500071"}
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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_4941785817848907310969743
|
4941785817848907310969743415081578015835703397799721836109203821982346208242231833811452011655275794205547615979644059172561207718224620601944264912629022
| 2025-04-16T21:23:51
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -22.557561
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_1244439308685245127323586
|
12444393086852451273235860020656899726412321603840394177886262909271639418638987168417398352627537842229693195060869736754701492855876256318743516174750149
|
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[
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0
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[
0,
0,
23.380728
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[
0,
0,
12.43452674601312
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[
0,
0,
8.80333415205888
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] |
[
true,
true,
true
] |
O2Ta
|
O2Ta
|
A2B
|
[
"O",
"Ta"
] |
[
0.6666666666666666,
0.3333333333333333
] |
[
73,
8,
8
] | 3
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_2374"
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data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/8545/MD_6787099926983907633198545.json
| null |
{"exfoliation_energy_per_atom": 0.08669605166666638, "material_id": "2dm-2381", "source_id": "mvc-11154", "total_magnetization": 0.9243826, "hash": "6787099926983907633198545398816427293061494510829633496461488953679558628242035377475807408330051698885062431393354870844962894216295779362057294621692933", "id": "MD_6787099926983907633198545"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4944017907795536601200245
|
4944017907795536601200245116106205378724573543571903792928265024222950913750276616774180272355759486611424780040070018310985420419651841401140097021066450
| 2025-04-16T17:10:51
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -16.564634
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_4721215464070375459824734
|
4721215464070375459824734319750941644937223361666534354740057257857758222792812255018008955411258034077477864514505541913463201904388230552580706655315057
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5470192245465808275582349095181871589622859849593541516190865169132109144055558241249287938076922227527523468399728076421522586962208877396049037514549922
|
[
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0
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[
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3.57196546,
0
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[
0,
0,
27.090311
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[
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[
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17.300027019372703
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[
2.0622771656088004,
1.19065394934484,
9.7902839806273
]
] |
[
true,
true,
true
] |
I2La2
|
ILa
|
AB
|
[
"I",
"La"
] |
[
0.5,
0.5
] |
[
57,
57,
53,
53
] | 4
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_6198"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/0406/MD_1204629038974957853560406.json
| null |
{"material_id": "2dm-6217", "source_id": "mp-1065933", "total_magnetization": 1.5713239, "hash": "12046290389749578535604060647699589936637283909017265625883937291826688071379009496862670161914172109940919675346789698796655788960517301296227341024980010", "id": "MD_1204629038974957853560406"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4943044466389471994630749
|
4943044466389471994630749108646588935774428121404174668557981838015064020447081427697297727650487689467405927324196743415340122630900015286249379459818086
| 2025-04-16T18:18:40
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -93.691305
|
[] |
[] | null | 1.765
|
unknown
| null | null | null | null | null | null |
CO_3239411742785733522479244
|
3239411742785733522479244128579807830982181666196071573145857043909124615140420659729973745803842400841446087746174627033844187089619442907880374256730580
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4183807327146186151592982290523118628331964662634245676069606394757128230389879110733712251251896309911336087720844504875905867285184937686096136069209151
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0,
0.364628
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[
0,
7.93901428,
0
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[
0,
0,
31.326699
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[
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16.92762665234339
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[
5.868870960237516,
1.0268684676606024,
14.82691736252861
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] |
[
true,
true,
true
] |
Ca4S12Sn4
|
CaS3Sn
|
A3BC
|
[
"Ca",
"S",
"Sn"
] |
[
0.2,
0.6,
0.2
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[
20,
20,
20,
20,
50,
50,
50,
50,
16,
16,
16,
16,
16,
16,
16,
16,
16,
16,
16,
16
] | 20
| 3
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_5627"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/3461/MD_5806073652499713038843461.json
| null |
{"exfoliation_energy_per_atom": 0.0700873009999996, "material_id": "2dm-5638", "source_id": "mp-866941", "total_magnetization": -0.0, "hash": "5806073652499713038843461460107027172880717602042999779421199996003626352056074211705491219214318234791187567078693676776852694775999904622085930702909545", "id": "MD_5806073652499713038843461"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_1006034563089359633825159
|
10060345630893596338251594360524155381820404995099880281974636872502101466810135777969058530143211900979963967958699194401978093029833587227171337537054172
| 2025-04-16T21:23:51
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -60.85948
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_6268191587802582686196608
|
6268191587802582686196608383891255667751396520996481547593699839423165215679463045399988737584258970625020641843505489776356862383280531775570052975895275
|
13367726520247070950088865274566437225688816533454104478037588130246825110668883225766386570280316969749448063946238195832256291092342513946778358418106011
|
[
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0
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[
1.90061992,
5.07739149,
0
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[
0,
0,
25.486558
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] |
[
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4.456631251234603,
11.423073256675359
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3.6610000300000003,
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12.743279
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14.06348474332464
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2.241157317165124,
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15.511479833595699
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5.080842742834877,
3.50246208864317,
9.975078166404298
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[
3.850040611018248,
4.0913645345574094,
13.86325316851576
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3.4719594489817527,
0.9560319154425905,
11.623304831484239
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[
0.8137806323685111,
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11.77823608837276
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6.508219427631489,
4.486419470863567,
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2.9047207711050134,
11.623304831484239
],
[
5.193362907827763,
2.142675678894987,
13.86325316851576
]
] |
[
true,
true,
true
] |
Cl2Cu3O6Se2
|
Cl2Cu3O6Se2
|
A6B3C2D2
|
[
"Cl",
"Cu",
"O",
"Se"
] |
[
0.15384615384615385,
0.23076923076923078,
0.46153846153846156,
0.15384615384615385
] |
[
29,
29,
29,
34,
34,
17,
17,
8,
8,
8,
8,
8,
8
] | 13
| 4
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_4859"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/4882/MD_8460804601012421482104882.json
| null |
{"exfoliation_energy_per_atom": 0.04240592461538473, "material_id": "2dm-4870", "source_id": "mp-557136", "total_magnetization": 0.0559474, "hash": "8460804601012421482104882482777981724834640041820118268629463472747906723998230551695235498992877420864137890318489391395695403366316502179185915959589663", "id": "MD_8460804601012421482104882"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_1006119962807540629173340
|
10061199628075406291733406266074823840961299746953986840597536247061783280366803188771608087369386335016321407247110949337670470472340306557156876935719492
| 2025-04-17T18:06:06
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -31.64122
|
[] |
[] | null | 1.0354
|
unknown
| null | null | null | null | null | null |
CO_6761016065084981248329512
|
6761016065084981248329512533574164827981722329376909070752783853103056559901637369241995343351969296362740718669238626689895293314052517487708727084407220
|
11919133541477385109357574900377344048766725785222664096269773472162472000513711965119721744533348994404120969302226706119300583361106288319045385815343565
|
[
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0
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[
0,
6.28925874,
0
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[
0,
0,
22.750083
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] |
[
[
0,
3.14462937,
11.3750415
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[
1.43241784,
0,
11.3750415
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[
0,
1.1787492880161115,
11.3750415
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[
0,
5.110509451983888,
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[
1.43241784,
3.14462937,
12.66735950981334
],
[
1.43241784,
3.14462937,
10.08272349018666
]
] |
[
true,
true,
true
] |
Co2F2O2
|
CoFO
|
ABC
|
[
"Co",
"F",
"O"
] |
[
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] |
[
27,
27,
8,
8,
9,
9
] | 6
| 3
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_5043"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/1675/MD_1708211708813086569411675.json
| null |
{"exfoliation_energy_per_atom": 0.13328803333333372, "material_id": "2dm-5054", "source_id": "mp-775620", "total_magnetization": 5.9998434, "hash": "1708211708813086569411675199894158864023598907707057542626963346349662500515129661203691375164022888573977967023316441225405764974528960622762503057529278", "id": "MD_1708211708813086569411675"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_1006211900067497465254395
|
10062119000674974652543956234413353847301631081750917783266341940219935461101076705815290200543619320799082607814133350338372460132981015274029727682926607
| 2025-04-16T16:31:33
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -57.447688
|
[] |
[] | null | 4.4744
|
unknown
| null | null | null | null | null | null |
CO_1049802849848163729628839
|
10498028498481637296288392228455770511192970808313559336722697347771049946975320661774626830214973758530857504913766669440985079113168175071376477220805424
|
6487189725478351497546343004641173056453118990919401476270312614759135397991512282772048659599281013724270534244925918469551137383112868981701571868243523
|
[
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0,
0
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[
0,
5.91436415,
0
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[
0,
0,
26.526453
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[
[
0,
5.6982636340962625,
11.66196618364902
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[
2.06573018,
2.7410815590962625,
14.86448681635098
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[
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3.0806158011087637,
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[
0,
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2.87654445130607,
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[
0,
1.877198126073626,
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[
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4.350061496658144,
14.710520386261198
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[
2.06573018,
1.3928794216581435,
11.8159326137388
]
] |
[
true,
true,
true
] |
Ba2F8Zn2
|
BaF4Zn
|
A4BC
|
[
"Ba",
"F",
"Zn"
] |
[
0.16666666666666666,
0.6666666666666666,
0.16666666666666666
] |
[
56,
56,
30,
30,
9,
9,
9,
9,
9,
9,
9,
9
] | 12
| 3
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_5301"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/1798/MD_6921884520522143815601798.json
| null |
{"material_id": "2dm-5312", "source_id": "mp-3881", "total_magnetization": 0.0, "hash": "6921884520522143815601798989274728438909385574576740376190411026001719672848888931967701098225918053296549094839009445453225212807081695736324661797130961", "id": "MD_6921884520522143815601798"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_1006533877279354737085738
|
10065338772793547370857383811308441583700894142756695380647432978080438521196742995939606068093618274862522232684241201606040093025828380550742815105873346
| 2025-04-16T21:51:00
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -8.604548
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_6003704690734251432962309
|
6003704690734251432962309340040349632552645291475451864885741726889501103169225199612265868020906240205577813828181407439603256254881428653091306754451162
|
1239162866649747285274226562324683604060207705368471117560208172545879665716553226463714137721613530039074711302119335291547980079768661998914552913390739
|
[
[
4.75383122,
-0.00000307,
4.6e-7
],
[
-2.37691777,
4.11693363,
-2.3e-7
],
[
0.00000196,
0,
20
]
] |
[
[
-1.1882744711027213,
3.430670953288415,
5.779022885017859
],
[
-0.0000026019842958723026,
1.3725279762877816,
5.779109999999763
],
[
1.1882667746967082,
3.4306696655461035,
5.779106114981635
],
[
2.3769184035223474,
1.372307461666164,
5.777001230000286
]
] |
[
true,
true,
true
] |
NZn3
|
NZn3
|
A3B
|
[
"N",
"Zn"
] |
[
0.25,
0.75
] |
[
30,
30,
30,
7
] | 4
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_2750"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/5346/MD_9227498805451499890245346.json
| null |
{"exfoliation_energy_per_atom": 0.20364354875, "material_id": "2dm-2761", "source_id": "mp-977242", "total_magnetization": 0.0002097, "hash": "9227498805451499890245346098186584115328435709836966992961286542586451352247701188902956431539402893424701398580348987102198169987147826104775530963778898", "id": "MD_9227498805451499890245346"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4970147848618031104768549
|
4970147848618031104768549889587901595425513897106551053905853701629432995144644467700030289449850432175937582602870043366838244226685890595366596145114240
| 2025-04-16T17:44:53
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -46.592409
|
[] |
[] | null | 1.736
|
unknown
| null | null | null | null | null | null |
CO_7847271550157890147288636
|
7847271550157890147288636441343179865101800951528750092734501288630099418788560306858772866366379086746411842326733031437404662232262980498627142558244920
|
6014629318852048384881761110634398564216475323407041749544688033209021551960409285933293253708761482721687084426104844309662079245474644416288320259716134
|
[
[
3.63648035,
0,
0
],
[
0,
4.15704475,
0
],
[
0,
0,
25.986824
]
] |
[
[
0,
2.078522375,
13.887466590919598
],
[
1.818240175,
0,
12.0993574090804
],
[
0,
0,
10.005035345187839
],
[
1.818240175,
2.078522375,
15.981788654812158
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[
0,
0,
13.285088372444237
],
[
1.818240175,
2.078522375,
12.70173562755576
]
] |
[
true,
true,
true
] |
Br2N2Zr2
|
BrNZr
|
ABC
|
[
"Br",
"N",
"Zr"
] |
[
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] |
[
40,
40,
35,
35,
7,
7
] | 6
| 3
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_3835"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/7880/MD_3333344441117345702787880.json
| null |
{"exfoliation_energy_per_atom": 0.041901431666666156, "material_id": "2dm-3846", "source_id": "mp-570157", "total_magnetization": -0.0, "hash": "3333344441117345702787880191155753601873295865966284103119143612247013353859074744793275059747669367856075116308306786928309605779232688500994520762195296", "id": "MD_3333344441117345702787880"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_1008696704685195724445320
|
10086967046851957244453206463911069525043049063451245703334028375432304856867869103537536607029023722885872684760520089131410555407214280827463919647808235
| 2025-04-16T16:57:08
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -28.052452
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_8543657026095862980325855
|
8543657026095862980325855890752920541440703411389878763628837747488548535366380594795550106054191394446885657339203825346419466883576971109878995371465145
|
746239355953456935016424730590113192542571057029211461221928210747623771350402944880994206597436479448697093798368166464486834799990268889887670724327201
|
[
[
4.0919535,
0,
0
],
[
0,
4.0919535,
0
],
[
0,
0,
24.00057
]
] |
[
[
2.04597675,
2.04597675,
14.062548617597699
],
[
2.04597675,
2.04597675,
9.938021382402301
],
[
0,
0,
12.000285
],
[
0,
0,
10.0262083567932
],
[
0,
0,
13.974361643206798
],
[
0,
2.04597675,
12.000285
],
[
2.04597675,
0,
12.000285
]
] |
[
true,
true,
true
] |
CuF4Tl2
|
CuF4Tl2
|
A4B2C
|
[
"Cu",
"F",
"Tl"
] |
[
0.14285714285714285,
0.5714285714285714,
0.2857142857142857
] |
[
81,
81,
29,
9,
9,
9,
9
] | 7
| 3
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_3107"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/0477/MD_1323574762303683982860477.json
| null |
{"material_id": "2dm-3118", "source_id": "mp-1025338", "total_magnetization": 0.9999987, "hash": "13235747623036839828604770589553883172835625917990489759401223750419941649405995236536777888409149418889376314411010589654304923757041267070837219111662499", "id": "MD_1323574762303683982860477"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_1008845878034288297062088
|
10088458780342882970620889061030749891291201481066909757478533073306014102908827468602994190885042450669287481175579971736155474267566198142880887395917275
| 2025-04-16T21:26:02
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -62.196228
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_1100908486474269211091262
|
11009084864742692110912624318804139596107583997709579741165386707825885563112327521025680565465463744666443710881282441722715734260211471633943205738271511
|
11142361901648046329240186098575311355151687543119563841772739152274243787823813220733113505246294805674478406804220131000560647776522643925593668522627291
|
[
[
4.03475178,
0.0002716,
0
],
[
0.00029516,
8.30183338,
0
],
[
0,
0,
26.123411
]
] |
[
[
2.0174523374280118,
1.7179656922328108,
13.0613867943858
],
[
4.0336314589089195,
0.0005087909828284,
16.0282147446325
],
[
2.0175946025719877,
6.584139287767188,
13.0620242056142
],
[
0.0014154810910797999,
8.301596189017172,
10.095196255367501
],
[
0.0005540208430176,
8.301585006571125,
12.36007378416815
],
[
4.034492919156983,
0.0005199734288736,
13.763337215831852
],
[
2.0185130396404016,
2.256055983392756,
9.94433538548127
],
[
2.0189962927652303,
6.045582101218765,
9.944296461598881
],
[
2.016050647234769,
2.2565228787812353,
16.17911453840112
],
[
2.0165339003595983,
6.046048996607243,
16.17907561451873
],
[
0.00014758,
4.15091669,
13.0617055
]
] |
[
true,
true,
true
] |
C2Br5La4
|
Br5C2La4
|
A5B4C2
|
[
"Br",
"C",
"La"
] |
[
0.45454545454545453,
0.18181818181818182,
0.36363636363636365
] |
[
57,
57,
57,
57,
6,
6,
35,
35,
35,
35,
35
] | 11
| 3
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_4343"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/8741/MD_8097657521425088463188741.json
| null |
{"exfoliation_energy_per_atom": 0.10789109272727249, "material_id": "2dm-4354", "source_id": "mp-569873", "total_magnetization": 0.0001669, "hash": "809765752142508846318874177997096073625697420169007588432892621518125835101500182312878548634800143108617969136185529473791224246487159492092645134520163", "id": "MD_8097657521425088463188741"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_1008809506622373607473404
|
10088095066223736074734043396030456664062434780743825127048716006736168612507427787315035839185702548860056027554443942754986030274025432855247454581938646
| 2025-04-16T18:09:14
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -37.370855
|
[] |
[] | null | 0.1769
|
unknown
| null | null | null | null | null | null |
CO_6083537182361927133595313
|
6083537182361927133595313336931815601841426269310026999995875384234524853878353326662323032602268935061805141374544000763512315861261742061683422247560529
|
8755784211330469282261086369972833650537845146634628350708562918536799082439820486790410330400700542588889891718515262751466121592965605703548809139598723
|
[
[
3.31406415,
0,
0
],
[
0,
10.36205042,
0
],
[
0,
0,
22.971359
]
] |
[
[
1.717495054415694,
4.167507981015094,
22.96185391107298
],
[
0.06046297941569401,
1.0135172289849057,
22.96185391107298
],
[
0.06046297941569401,
6.194542438984905,
0.009505088927019999
],
[
1.717495054415694,
9.348533191015093,
0.009505088927019999
],
[
0.060265063504656,
9.686424941099697,
21.932743459853498
],
[
1.717297138504656,
0.6756254789003021,
1.0386155401464998
],
[
1.717297138504656,
5.856650688900301,
21.932743459853498
],
[
0.060265063504656,
4.505399731099698,
1.0386155401464998
]
] |
[
true,
true,
true
] |
C4Se4
|
CSe
|
AB
|
[
"C",
"Se"
] |
[
0.5,
0.5
] |
[
6,
6,
6,
6,
34,
34,
34,
34
] | 8
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_2283"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/4810/MD_1243770211009156764484810.json
| null |
{"exfoliation_energy_per_atom": 0.06126801937500037, "material_id": "2dm-2290", "source_id": "mp-628781", "total_magnetization": -0.0, "hash": "12437702110091567644848100092390949478466852154288172880171114457713116551024353688449046831782346405484570025187408925376748531659947794221345739943702089", "id": "MD_1243770211009156764484810"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_1008975694765798508586591
|
10089756947657985085865911081004457977630083290859501535675427886475226534470949438687766667940576586813400719045767326969160819739189116838879751634245653
| 2025-04-17T18:26:41
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -46.718456
|
[] |
[] | null | 0.8963
|
unknown
| null | null | null | null | null | null |
CO_1116865924199459778588774
|
11168659241994597785887741158987691934817493238918237232258922601877766416793952665064048857922193699731562550950083540757592916039861069852016181877592148
|
12746188196751738495728438728659780777550531648118473347679165680629872944545184428905016551831568073929333725906972496745656710601473414844047821736392802
|
[
[
4.04048292,
0,
0
],
[
0,
4.04048292,
0
],
[
0,
0,
25.610781
]
] |
[
[
0,
2.02024146,
11.48120991085257
],
[
2.02024146,
0,
14.12957108914743
],
[
0,
2.02024146,
15.76052580856278
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[
2.02024146,
0,
9.850255191437219
],
[
2.02024146,
2.02024146,
12.8053905
],
[
0,
0,
12.8053905
]
] |
[
true,
true,
true
] |
O2Te2Th2
|
OTeTh
|
ABC
|
[
"O",
"Te",
"Th"
] |
[
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] |
[
90,
90,
52,
52,
8,
8
] | 6
| 3
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_5303"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/1015/MD_7018422726710124624461015.json
| null |
{"material_id": "2dm-5314", "source_id": "mp-3718", "total_magnetization": 0.0, "hash": "7018422726710124624461015226177508901092495804304065152943833298007447129217428939880071063033781276570365772595314081449617540809023798925484027544367409", "id": "MD_7018422726710124624461015"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_1009253799213798732798027
|
10092537992137987327980270500072490287525298527999863889684628531752929404051798340416069805675093956119250447351862475245862807493929681797998682098592729
| 2025-04-16T15:44:05
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -18.92173
|
[] |
[] | null | 0.6395
|
unknown
| null | null | null | null | null | null |
CO_1156036915902764343882060
|
11560369159027643438820604067528605743606476957984086710078336331825145511617891341517865128167827370723192742012869189650731098159049213251865793122682980
|
6148496358067837588979616901046889005295092343043052055185934108054455589573079317420699415736343084518917683426867493114494544509096594185716383667938204
|
[
[
4.2334606,
0,
0
],
[
2.1167303,
3.66628414,
0
],
[
0,
0,
27.085986
]
] |
[
[
0,
0,
11.7374371103421
],
[
2.1167281832697,
1.22209349123862,
15.3485488896579
],
[
0,
0,
17.09641325429496
],
[
2.1167281832697,
1.22209349123862,
9.98957274570504
],
[
4.2334627167303,
2.44419064876138,
13.542993
]
] |
[
true,
true,
true
] |
Sb2SeTe2
|
Sb2SeTe2
|
A2B2C
|
[
"Sb",
"Se",
"Te"
] |
[
0.4,
0.2,
0.4
] |
[
51,
51,
52,
52,
34
] | 5
| 3
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_4036"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/7835/MD_8053552372799718692027835.json
| null |
{"exfoliation_energy_per_atom": 0.07635420199999965, "material_id": "2dm-4047", "source_id": "mp-3525", "total_magnetization": 0.0, "hash": "805355237279971869202783597320947403343630073833906588854286731831778276033321791179411224352718573351224577002308428192638569768503420787765451285362071", "id": "MD_8053552372799718692027835"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_1009349998432020303245550
|
10093499984320203032455506530280156818299545566576484420484415627504206649389002185301240587453257125280930334620058226478909302891154690953367094294632314
| 2025-04-16T15:44:09
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -6.484718
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_2975149204251672840739509
|
2975149204251672840739509242978548319500709752381798114631969666844619186802910311441140683061717663719260671654821702437902542678108592751489127428790932
|
11598111555945048697679871170168131358511871824673520453401917737748565536322690565003686724856273770811007327443580127843850601357693840872581500974763103
|
[
[
5.04722174,
-0.00012454,
0.00002123
],
[
-2.52371872,
4.37064364,
-0.0000234
],
[
0.00007984,
-0.00005395,
20
]
] |
[
[
1.2617292296276217,
2.1852695263099653,
6.234111114723234
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[
-1.2617784508369232,
2.1853323625468,
6.233875300155619
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[
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4.370503540796354,
6.233829415195251
],
[
-2.5236914380110242,
4.370624911363476,
6.24621520001537
]
] |
[
true,
true,
true
] |
CuZn3
|
CuZn3
|
A3B
|
[
"Cu",
"Zn"
] |
[
0.25,
0.75
] |
[
30,
30,
30,
29
] | 4
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_2697"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/5290/MD_8091165899676151548375290.json
| null |
{"exfoliation_energy_per_atom": 0.49498380250000007, "material_id": "2dm-2708", "source_id": "mp-973626", "total_magnetization": -2.1e-06, "hash": "8091165899676151548375290273760305622493279023328490490758150439737055439221480264495653701219484261343945889692000122763434767785712840003727635652260791", "id": "MD_8091165899676151548375290"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_1009697368135279065340551
|
10096973681352790653405513333533133113388735971941503775924859561084792603267033772615124186414997661803591704011112958821964878614236004087892768481875749
| 2025-04-16T17:44:43
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -17.735685
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_1088519894862948028517152
|
10885198948629480285171528820156948005941332146816804315057318040075566009162867227275116388083995895260064874041754525675966778771215671877913445653142059
|
4780579270796401079442018346722566375703938685125352697068262828007906837872818492080614558048231472704661996710273102855019943474097591147733658071711097
|
[
[
5.89114237,
1e-8,
0
],
[
-2.94557066,
5.10187881,
0
],
[
0,
0,
20
]
] |
[
[
-0.0000025955710100593557,
3.4012542439596,
5.66366
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[
1.4735254602470675,
0.8507402846352435,
5.66366
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[
2.9455715054563836,
3.4003983067508123,
5.66366
],
[
4.4176170259294185,
0.850740289632732,
5.66366
]
] |
[
true,
true,
true
] |
NdSe3
|
NdSe3
|
A3B
|
[
"Nd",
"Se"
] |
[
0.25,
0.75
] |
[
60,
34,
34,
34
] | 4
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_2010"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/5114/MD_1237992620220920064585114.json
| null |
{"exfoliation_energy_per_atom": 0.49595423749999945, "material_id": "2dm-2017", "source_id": "mp-976249", "total_magnetization": -9e-07, "hash": "1237992620220920064585114813755900781615213353413481054549674203794784189037351502912322031573585706639218520623335082598464977024422042614000189162669850", "id": "MD_1237992620220920064585114"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_1009786557310202421642025
|
10097865573102024216420259066070241134018960168132178080239372580646677095758449670306787117873820650263949656643199277604312869329796359186281549181038563
| 2025-04-16T21:43:16
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -12.092942
|
[] |
[] | null | 5.3521
|
unknown
| null | null | null | null | null | null |
CO_1326304098204335661174881
|
13263040982043356611748813291620705360067513790681403513488386776997897637836368203348244331902172191704312481466687761232058284009833395645273764516018824
|
1003876325824453800480625400560868704556119585252211649574462106999924344985076568469489659889006477372145155031561836724632609869408356878282365310408317
|
[
[
4.776541,
0,
0
],
[
0,
4.776541,
0
],
[
0,
0,
22.656191
]
] |
[
[
0,
0,
0
],
[
0,
2.3882705,
21.235126731907002
],
[
2.3882705,
0,
1.421064268093
]
] |
[
true,
true,
true
] |
Cl2Sr
|
Cl2Sr
|
A2B
|
[
"Cl",
"Sr"
] |
[
0.6666666666666666,
0.3333333333333333
] |
[
38,
17,
17
] | 3
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_1444"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/4716/MD_1246055233941868257454716.json
| null |
{"exfoliation_energy_per_atom": 0.2593833566666661, "material_id": "2dm-1453", "source_id": "mp-570922", "total_magnetization": -0.0, "hash": "12460552339418682574547160181162575559685406705278613870115909841654534167722641043890430635681749667136838129802695825005853564532607747382005873034702617", "id": "MD_1246055233941868257454716"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_1007367345863532790382856
|
10073673458635327903828560621252047565533330399652482293279976658056521795474049627851345953800167555756120973448086299233029248497297713501339227317394961
| 2025-04-16T18:45:06
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -37.827982
|
[] |
[] | null | 0.1522
|
unknown
| null | null | null | null | null | null |
CO_2092495404543146646112232
|
2092495404543146646112232889871233193974523333194536698797475795581701221637101987643810291781704296196537607028293010810093563700309395710443213529830604
|
8910386445701009052099319154566615717372711118832518034382482251071570933527900137682864168656443208864112339542445215558362473289191487880448288519588975
|
[
[
6.84960726,
-1e-8,
0
],
[
-3.42480315,
5.9319334,
0
],
[
0,
0,
23.112128
]
] |
[
[
0,
0,
11.556064
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[
-0.000003104803470070237,
3.95462424064447,
11.556064
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[
3.4248072148034696,
1.97730914935553,
11.556064
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[
1.1553067817848544,
5.907447143410106,
9.99309178335936
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[
1.1135499565141693,
1.9776852966263985,
9.99309178335936
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[
-1.1135427868463552,
1.9776852998778152,
13.11903621664064
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[
-2.268845503888613,
3.9787284180300855,
9.99309178335936
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[
2.2688529973971145,
3.9787284114053283,
13.11903621664064
],
[
-1.1552989761403485,
5.907447146783446,
13.11903621664064
]
] |
[
true,
true,
true
] |
Br6Li2U
|
Br6Li2U
|
A6B2C
|
[
"Br",
"Li",
"U"
] |
[
0.6666666666666666,
0.2222222222222222,
0.1111111111111111
] |
[
3,
3,
92,
35,
35,
35,
35,
35,
35
] | 9
| 3
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_3849"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/3153/MD_1130388685321491381953153.json
| null |
{"exfoliation_energy_per_atom": 0.05451599416666619, "material_id": "2dm-3860", "source_id": "mp-675438", "total_magnetization": 1.9790148, "hash": "11303886853214913819531531923354079990933063949657301982544311707668191045738456175954245019535290945262672536048911346494649936285860622606217587300399105", "id": "MD_1130388685321491381953153"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_1007520222225824303839447
|
10075202222258243038394479617115134428997468435971541560392384196269734642043146432464090439140792476004740182156524423743930886736594427522504288438999885
| 2025-04-16T20:11:06
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -16.594615
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_4384642130036350416544552
|
4384642130036350416544552971730495370962420569100830320152741427670852801261546537540271808415310240620069826771206582326105304694397921038738252017192664
|
315516343892530130804667824594075006428765981979414188617913732256332964236840603490116831827764655703405786573132586787270776955591325755119419774132050
|
[
[
4.164892,
0,
0
],
[
-2.082446,
3.606902,
0
],
[
0,
0,
25.130912
]
] |
[
[
0,
0,
7.795709426047999
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[
-0.0000020824460000763335,
2.404602535634,
5.37474814944
],
[
-0.0000020824460000763335,
2.404602535634,
10.216645571744
],
[
-0.0000020824460000763335,
2.404602535634,
7.795709426047999
]
] |
[
true,
true,
true
] |
Ga3Ir
|
Ga3Ir
|
A3B
|
[
"Ga",
"Ir"
] |
[
0.75,
0.25
] |
[
31,
31,
31,
77
] | 4
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_1699"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/4421/MD_1125802281734908461954421.json
| null |
{"exfoliation_energy_per_atom": 0.5751567612499999, "material_id": "2dm-1709", "source_id": "mp-2294", "total_magnetization": -2e-06, "hash": "11258022817349084619544218339321152591774486580672955397671090481517329553644199222948582896739692852988737405737952058510707108126351288061049752922357705", "id": "MD_1125802281734908461954421"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_1007668157869647723038063
|
10076681578696477230380636873887578899110595791165531279948260462375998921807203136582819893345278442226465631646039654684393367235983842262244597819425956
| 2025-04-17T18:37:27
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -38.41297
|
[] |
[] | null | 3.4398
|
unknown
| null | null | null | null | null | null |
CO_3057862758471906113263924
|
3057862758471906113263924575217200161500620469088593925669446918280218712819441140018021460136573434171311472740237310353644884080644398091077732540586628
|
7698022767148059479170368899945619041491202921123461591902508790537234529954309088157832864770431553245973689501768358750685421124244433369127500078943375
|
[
[
3.7179744,
0,
0
],
[
0,
4.39432856,
0
],
[
0,
0,
23.745806
]
] |
[
[
0,
0,
11.872903
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[
1.8589872,
1.0247089946912686,
11.872903
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[
1.8589872,
3.369619565308731,
11.872903
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[
0,
0,
13.748496831373922
],
[
0,
0,
9.997309168626082
],
[
0,
2.19716428,
11.872903
]
] |
[
true,
true,
true
] |
F5Ta
|
F5Ta
|
A5B
|
[
"F",
"Ta"
] |
[
0.8333333333333334,
0.16666666666666666
] |
[
73,
9,
9,
9,
9,
9
] | 6
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_5210"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/2614/MD_5803348987306073260342614.json
| null |
{"exfoliation_energy_per_atom": 0.055911821666666306, "material_id": "2dm-5221", "source_id": "mvc-13836", "total_magnetization": 0.0, "hash": "5803348987306073260342614523618004875318474219838655129023571686380800538102312428743783732374990113882387038163627943362458260993907065324197249466729979", "id": "MD_5803348987306073260342614"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_1007885379716270213160102
|
1007885379716270213160102382968966269321530237330067992512893934741060065608523548582834138057330524987176544860448145758211466030640907227885250785056489
| 2025-04-16T20:51:24
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -52.66343
|
[] |
[] | null | 6.9813
|
unknown
| null | null | null | null | null | null |
CO_1201988706489110486751353
|
12019887064891104867513538173375920884403988152209596076962962898296987254468329164131156571857396428590754692507487538651401505036423567816038990511610166
|
6207967785138846087995914279332971362031494990856803144704153210874610372951881213844980158484583324528030570359029315012177359360808588983792757088559996
|
[
[
3.60923966,
0,
0
],
[
0,
7.20321971,
0
],
[
0,
0,
24.388929
]
] |
[
[
1.80461983,
3.601609855,
14.52560247778149
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[
0,
0,
14.23350554294151
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[
0,
2.291209489542423,
13.502481296777821
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[
1.80461983,
1.3104003654575769,
15.25665111287418
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[
1.80461983,
0,
12.815447605740722
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[
0,
3.601609855,
15.94368480391128
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[
0,
4.912010220457577,
13.502481296777821
],
[
1.80461983,
5.892819344542423,
15.25665111287418
]
] |
[
true,
true,
true
] |
F6Nd2
|
F3Nd
|
A3B
|
[
"F",
"Nd"
] |
[
0.75,
0.25
] |
[
60,
60,
9,
9,
9,
9,
9,
9
] | 8
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_317"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/3031/MD_5961648183145226372333031.json
| null |
{"material_id": "2dm-321", "source_id": "mp-27975", "total_magnetization": -0.0, "hash": "5961648183145226372333031094785735928726950580868727678628646329969936479362093156348974678875711775956383656557190885740914011980674046473138789447023887", "id": "MD_5961648183145226372333031"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_1007913243277220884781380
|
10079132432772208847813800521382394164976031928925279367956234906805121594681820253712071679318346211828797310020720184639425242430346889851000254553817435
| 2025-04-16T21:30:02
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -37.040046
|
[] |
[] | null | 0.8212
|
unknown
| null | null | null | null | null | null |
CO_7706466368413274607319336
|
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Se6Tl6
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SeTl
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AB
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data/MD/6422/MD_8361437096859737127706422.json
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data/MD/4253/MD_3346886407509004468574253.json
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PO_1007983939860763582623702
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| 2025-04-16T17:27:47
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DS_hdv6si8yu2mv_0
| 1
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VASP
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DFT-vdW-optB88
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unknown
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CO_9027510293326856187208271
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BaBi4O7
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BaBi4O7
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A7B4C
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data/MD/6422/MD_8361437096859737127706422.json
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data/MD/2089/MD_1002275151296576499712089.json
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PO_1006596950891335026804383
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| 2025-04-16T17:52:39
|
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_8625567705105508123218125
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InPd2
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InPd2
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A2B
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data/MD/6422/MD_8361437096859737127706422.json
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data/MD/3300/MD_1152451374042868623493300.json
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PO_1006640877401485379444086
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| 2025-04-17T17:56:16
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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 | 0.7589
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unknown
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CO_3964945803594677651111310
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true
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In12S18
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In2S3
|
A3B2
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[
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| 2
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[
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data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/7303/MD_1985351618347064764907303.json
| null |
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PO_1006748929988643688013814
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| 2025-04-16T21:43:16
|
DS_hdv6si8yu2mv_0
| 1
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VASP
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DFT-vdW-optB88
| -143.046341
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[] |
[] | null | 2.0499
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unknown
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CO_6428204089146218924278367
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true,
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true
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Bi4O16P4
|
BiO4P
|
A4BC
|
[
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[
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8,
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| 3
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0,
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0
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[
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data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/1107/MD_1270448722960702647541107.json
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PO_1006779583512735415023753
|
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| 2025-04-16T18:21:24
|
DS_hdv6si8yu2mv_0
| 1
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VASP
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DFT-vdW-optB88
| -19.799733
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[] |
[] | null | 0
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unknown
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CO_9910355640653350355038670
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true,
true
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Ag2Bi6
|
AgBi3
|
A3B
|
[
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[
0.25,
0.75
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[
47,
47,
83,
83,
83,
83,
83,
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[
0,
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0
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data/MD/6422/MD_8361437096859737127706422.json
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data/MD/6327/MD_4497298823773308981026327.json
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PO_1007286024199397528470586
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| 2025-04-16T17:13:54
|
DS_hdv6si8yu2mv_0
| 1
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VASP
|
DFT-vdW-optB88
| -103.581502
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[] |
[] | null | 2.3522
|
unknown
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CO_9968270419929420726024202
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true
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O10V4
|
O5V2
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A5B2
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[
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[
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0
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data/MD/6422/MD_8361437096859737127706422.json
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data/MD/2073/MD_8944732460294059763712073.json
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PO_1007212032313864092536885
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| 2025-04-16T15:41:55
|
DS_hdv6si8yu2mv_0
| 1
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VASP
|
DFT-vdW-optB88
| -29.002771
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[] |
[] | null | 0
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unknown
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CO_3866299496349026553589737
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[
true,
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true
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Sb4Si3
|
Sb4Si3
|
A4B3
|
[
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[
0.5714285714285714,
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[
14,
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14,
51,
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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/4710/MD_4955819133309928065804710.json
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{"exfoliation_energy_per_atom": 0.2933543928571427, "material_id": "2dm-2296", "source_id": "mp-684588", "total_magnetization": 2.1e-06, "hash": "4955819133309928065804710180299260693475379133125835087393562225202807824478764547855134974462634304428735068047145298085992780984777098308213362297261983", "id": "MD_4955819133309928065804710"}
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PO_4998779693861002829396031
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| 2025-04-16T18:32:22
|
DS_hdv6si8yu2mv_0
| 1
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VASP
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DFT-vdW-optB88
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[] |
[] | null | 0.7219
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unknown
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CO_8359101419674992977420846
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8359101419674992977420846287575147605171277321749743473248603916909683613642486629414058091687792230995266201521408029168988415194994654371549315062433470
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[
true,
true,
true
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F14Tc4
|
F7Tc2
|
A7B2
|
[
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[
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9,
9,
9,
9,
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9,
9,
9
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| 2
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0
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data/MD/6422/MD_8361437096859737127706422.json
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data/MD/7894/MD_5423000319448078638737894.json
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PO_4997486965191392780909907
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| 2025-04-16T16:41:55
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -34.864912
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[] |
[] | null | 0
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unknown
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CO_9903043898361296539549714
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[
true,
true,
true
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I8Mo2
|
I4Mo
|
A4B
|
[
"I",
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[
0.8,
0.2
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[
42,
42,
53,
53,
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53,
53,
53
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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/1028/MD_9090758235628811000411028.json
| null |
{"material_id": "2dm-1902", "source_id": "mvc-14582", "total_magnetization": 3.9995095, "hash": "9090758235628811000411028186988108071309854883200626624882677517692870200838996448616789284178405301195425901515909204147693714371706128593069087727491914", "id": "MD_9090758235628811000411028"}
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PO_4997213164010657297981781
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| 2025-04-16T18:55:10
|
DS_hdv6si8yu2mv_0
| 1
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VASP
|
DFT-vdW-optB88
| -191.954349
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[] |
[] | null | 2.4534
|
unknown
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CO_7482700521416216575041878
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true,
true,
true
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Mn2Nb4O16Zn4
|
MnNb2O8Zn2
|
A8B2C2D
|
[
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[
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0.15384615384615385,
0.6153846153846154,
0.15384615384615385
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25,
25,
41,
41,
41,
41,
30,
30,
30,
30,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 26
| 4
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_4585"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/2375/MD_1212312504624644084042375.json
| null |
{"exfoliation_energy_per_atom": 0.1237606569230767, "material_id": "2dm-4596", "source_id": "mp-620294", "total_magnetization": 10.0069221, "hash": "12123125046246440840423756079887874614220127000212951399783198444226706331629611221241938998781852160864305406845965583042499699793005256252988725259700920", "id": "MD_1212312504624644084042375"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4997828791093600868302456
|
4997828791093600868302456066997697788834588942653617281976978789510213106102173218769870705938152942224977992373366518453595123883131763370983093116510634
| 2025-04-17T18:26:41
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -206.968949
|
[] |
[] | null | 3.8486
|
unknown
| null | null | null | null | null | null |
CO_8708860054604353223817656
|
8708860054604353223817656963258093528412835984300005500868288013046781023724579887351517126680261163570091037776535781402588466677714450458117036259599681
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[
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0
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[
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12.45470062,
0
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[
0,
0,
26.5164651
]
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[
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14.999267320908816
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[
2.7015601061535186,
10.210194913955657,
14.999267320908816
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] |
[
true,
true,
true
] |
F20O8Sb12
|
F5O2Sb3
|
A5B3C2
|
[
"F",
"O",
"Sb"
] |
[
0.5,
0.2,
0.3
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[
51,
51,
51,
51,
51,
51,
51,
51,
51,
51,
51,
51,
8,
8,
8,
8,
8,
8,
8,
8,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9
] | 40
| 3
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_5915"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/1758/MD_9269159065170622473561758.json
| null |
{"material_id": "2dm-5926", "source_id": "mp-541240", "total_magnetization": -0.0, "hash": "9269159065170622473561758058448980972490852641920116715818191222824955701722580462109724814180568053126810865878172480797862181567076336887792941573407071", "id": "MD_9269159065170622473561758"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4986108199671365002856405
|
4986108199671365002856405089027331258309871431359483306436213363707437438645273176129861290815030552970480861299861623578340430077742284560316172690144730
| 2025-04-16T21:37:22
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -63.340585
|
[] |
[] | null | 0.085
|
unknown
| null | null | null | null | null | null |
CO_9741016267066572547746028
|
9741016267066572547746028734252647230140715838038722556507686057846666250752790703797849352662680316225372526467331488293795444780480638262973245741357319
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[
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5.29567504,
0.08076754
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[
0.22089566,
0.30597114,
22.20588075
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[
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[
4.128918886765712,
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12.755782550730789
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[
2.537653348903041,
3.8375512499466202,
12.875539604501705
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] |
[
true,
true,
true
] |
F8Tc3
|
F8Tc3
|
A8B3
|
[
"F",
"Tc"
] |
[
0.7272727272727273,
0.2727272727272727
] |
[
43,
43,
43,
9,
9,
9,
9,
9,
9,
9,
9
] | 11
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_1470"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/2682/MD_5610394762936683645402682.json
| null |
{"exfoliation_energy_per_atom": 0.035723842727271915, "material_id": "2dm-1479", "source_id": "mp-765332", "total_magnetization": 5.0008446, "hash": "5610394762936683645402682150189401746994091488467120906380232066648752063384204870030942863117536459163021235077864385664722815171490539642502373089266079", "id": "MD_5610394762936683645402682"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4986660763506573456229515
|
4986660763506573456229515991285911044131980879253420074182549323321053248386996057644698806862995380540611207857531481611492619814734815026701493246901242
| 2025-04-16T21:21:56
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -44.393529
|
[] |
[] | null | 3.171
|
unknown
| null | null | null | null | null | null |
CO_7920583894023694044565757
|
7920583894023694044565757692424356072646176476729702839349884047494748468948498020280762980508614051912978458731667792184949942968015585275099552157234444
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[
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0
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[
0,
7.54518164,
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[
0,
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25.12440051
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[
[
1.0683545775,
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11.676491858805026
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[
3.2050637325,
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3.2050637325,
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1.0683545775,
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[
3.2050637325,
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1.0683545775,
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12.966373815757226
],
[
3.2050637325,
2.5966109985997172,
12.137325881068044
]
] |
[
true,
true,
true
] |
Bi2Cd2Cl2O4
|
BiCdClO2
|
A2BCD
|
[
"Bi",
"Cd",
"Cl",
"O"
] |
[
0.2,
0.2,
0.2,
0.4
] |
[
48,
48,
83,
83,
17,
17,
8,
8,
8,
8
] | 10
| 4
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_5248"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/9568/MD_1164364431341849203249568.json
| null |
{"exfoliation_energy_per_atom": 0.1694099610000004, "material_id": "2dm-5259", "source_id": "mp-550553", "total_magnetization": -0.0, "hash": "11643644313418492032495682580928623977754337892106552381489526396111895068401555705741279121112040832134716876333508853644566228010814852929275341872915535", "id": "MD_1164364431341849203249568"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4986377175477719969522847
|
4986377175477719969522847000089892911218532236309869549912492546218977784543742708417873241683815269690720344458639398907456341773466239810286131407067830
| 2025-04-16T21:13:01
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -107.999769
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_6541912388187270163380223
|
6541912388187270163380223334284393728536091931255492134708705869315892789824650702956242600813628896389589027855239628653427844119969377099601468883498886
|
2777060209638890922157466827906097099640020421891393069151822441536700420452362410162694706786166862821792413598109917643563837832450729699058740540831621
|
[
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7.84024,
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[
-3.84456,
6.734831,
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[
0.573684,
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38.39319
]
] |
[
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3.4822421228279996,
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34.576392482844994
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[
5.03330544566,
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6.6170655148319995,
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0.11718106651599997,
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1.189912818876,
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26.149553676529997
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33.3299419655
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2.592740149868,
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24.187290713939
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[
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[
5.7422880468479995,
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[
1.3491563688519999,
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35.99518843032799
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[
4.237194770748,
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[
1.144745297048,
3.84521605784,
25.879281922231996
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[
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[
0.4449336449239997,
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34.245590256549995
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[
5.011213548567999,
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27.533278614163
],
[
1.8032262235719998,
-1.296315243841,
20.689365102834998
]
] |
[
true,
true,
true
] |
Al12Te18
|
Al2Te3
|
A3B2
|
[
"Al",
"Te"
] |
[
0.4,
0.6
] |
[
13,
13,
13,
13,
13,
13,
13,
13,
13,
13,
13,
13,
52,
52,
52,
52,
52,
52,
52,
52,
52,
52,
52,
52,
52,
52,
52,
52,
52,
52
] | 30
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_2644"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/4208/MD_1048729243835100193494208.json
| null |
{"material_id": "2dm-2655", "source_id": "mp-699208", "total_magnetization": 0.009921, "hash": "10487292438351001934942084851321717291513728866688030517154900883371623866207940728904058769172113504320435566814736751877994573686018211833116532175177623", "id": "MD_1048729243835100193494208"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
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