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VASP
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DFT-vdW-optB88
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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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DS_hdv6si8yu2mv_0
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VASP
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DFT-vdW-optB88
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F4In4O12Te4
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FInO3Te
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A3BCD
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data/MD/3531/MD_4372712709397029078283531.json
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| 2025-04-16T18:31:36
|
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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I2W
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I2W
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A2B
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data/MD/6422/MD_8361437096859737127706422.json
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data/MD/5828/MD_5107211605213167869235828.json
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PO_4816084865346063858519564
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| 2025-04-16T20:24:05
|
DS_hdv6si8yu2mv_0
| 1
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VASP
|
DFT-vdW-optB88
| -81.052712
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[] |
[] | null | 4.3643
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unknown
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CO_1219682797770841764925532
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O8P2Sb2
|
O4PSb
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A4BC
|
[
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data/MD/6422/MD_8361437096859737127706422.json
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data/MD/1463/MD_1313450890472980360791463.json
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PO_4816680536034088536488597
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| 2025-04-16T15:09:27
|
DS_hdv6si8yu2mv_0
| 1
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VASP
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DFT-vdW-optB88
| -147.898755
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unknown
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CO_5776854564372286747464122
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9.77585973975072
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[
1.3637462825,
1.7813566225,
9.77585973975072
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] |
[
true,
true,
true
] |
O16W4Zn4
|
O4WZn
|
A4BC
|
[
"O",
"W",
"Zn"
] |
[
0.6666666666666666,
0.16666666666666666,
0.16666666666666666
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[
30,
30,
30,
30,
74,
74,
74,
74,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 24
| 3
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_5134"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/9538/MD_3818385452363379379469538.json
| null |
{"exfoliation_energy_per_atom": 0.07708585291666648, "material_id": "2dm-5145", "source_id": "mp-645124", "total_magnetization": -0.0, "hash": "3818385452363379379469538052149881089699969786781346906789739721688512860482534309243165167167246290917030286914177333640439022960873578899133764039707663", "id": "MD_3818385452363379379469538"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4821038790023560998009160
|
4821038790023560998009160305530299255483312819433990751830517883528193064260359791053143276865548006771742249485553119343053469186093630081983891440749101
| 2025-04-16T18:06:12
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -99.081193
|
[] |
[] | null | 3.097
|
unknown
| null | null | null | null | null | null |
CO_1214014308385171084824748
|
12140143083851710848247489333172128875840120652856171669005113147229271543275071197868486861514912912629010417199016010025442371753767347084419004516747841
|
5619918726139102592529824212362164385252027520985182439146163503605689090609024637527788552112294414035515280744514760867631718568144821408437239775717544
|
[
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0,
0
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[
0,
4.71715838,
0
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[
0,
0,
27.120972
]
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[
[
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14.286859127994118
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0,
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12.83411287200588
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14.417064744888359
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15.715871278965718
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[
3.2496975795658,
3.8260399904341997,
12.70390725511164
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] |
[
true,
true,
true
] |
F8Li2O4Re2
|
F4LiO2Re
|
A4B2CD
|
[
"F",
"Li",
"O",
"Re"
] |
[
0.5,
0.125,
0.25,
0.125
] |
[
3,
3,
75,
75,
8,
8,
8,
8,
9,
9,
9,
9,
9,
9,
9,
9
] | 16
| 4
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_4156"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/0231/MD_8756179770806858728770231.json
| null |
{"exfoliation_energy_per_atom": 0.02725978249999983, "material_id": "2dm-4167", "source_id": "mp-554108", "total_magnetization": 0.0, "hash": "875617977080685872877023190122000871601177116936805825804140202231524514654271135070462699559645235366646333438515838242402549362651375740352781083874292", "id": "MD_8756179770806858728770231"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4833635449287792681146019
|
4833635449287792681146019816638088471797460330404125756651504288834119783863655331243925560185130757234992213407597034887778604007690449637182698683122862
| 2025-04-16T16:32:30
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -63.761017
|
[] |
[] | null | 0.2189
|
unknown
| null | null | null | null | null | null |
CO_4983523666295418328193199
|
4983523666295418328193199091756896668082082701811330717197418658083086800899502903089989562794636560536400854398323440711058769335791414616638719374431097
|
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|
[
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0,
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[
0,
6.16565965,
0
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[
0,
0,
23.775924
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] |
[
[
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11.73257187880726
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[
1.1998865715912683,
5.6972570759665535,
11.89582841396074
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1.738499281267266,
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14.70081166879486
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0.459063238673214,
1.950339094274599,
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2.1788394442504955,
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15.170460978391139
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15.00662147839114
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4.619447474250495,
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4.318726393844906,
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12.20098572687312
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[
2.760052186095573,
2.0703339292509693,
11.09973556589488
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] |
[
true,
true,
true
] |
H4Cl4Cu4O4
|
ClCuHO
|
ABCD
|
[
"Cl",
"Cu",
"H",
"O"
] |
[
0.25,
0.25,
0.25,
0.25
] |
[
29,
29,
29,
29,
1,
1,
1,
1,
17,
17,
17,
17,
8,
8,
8,
8
] | 16
| 4
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_5887"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/4683/MD_1254656416713926358124683.json
| null |
{"material_id": "2dm-5898", "source_id": "mp-696956", "total_magnetization": -2.42e-05, "hash": "12546564167139263581246830109032176694147545096618767216193998931992263607185578338989734789171595057935105346881307083839504652732323612754196369656049831", "id": "MD_1254656416713926358124683"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4833305519848264685943163
|
4833305519848264685943163686876106497660353330228825134013569869963081002919897220827036209743143003379449035253913171114254787595748015264101536978449731
| 2025-04-16T18:56:42
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -79.396833
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_3262568797089570826263732
|
326256879708957082626373210871437831776440268590080677762948673888002907043828292160155772839664868943256562211719971442818399504462524433555399316824270
|
6955858690480175126184199359766632224989622715109279880310507631800925882291663468154067340675405429139419294418508516000276225252066781614496968163991647
|
[
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0,
0
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[
0,
3.83620054,
0
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[
0,
0,
32.583095
]
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[
[
1.91810027,
0,
14.91789928023055
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[
0,
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17.66519571976945
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22.5982896618384
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0,
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15.189304080004451
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[
0,
0,
12.93212646542695
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[
0,
0,
19.65096853457305
]
] |
[
true,
true,
true
] |
Cl2Co2O6Sr4
|
ClCoO3Sr2
|
A3B2CD
|
[
"Cl",
"Co",
"O",
"Sr"
] |
[
0.14285714285714285,
0.14285714285714285,
0.42857142857142855,
0.2857142857142857
] |
[
38,
38,
38,
38,
27,
27,
17,
17,
8,
8,
8,
8,
8,
8
] | 14
| 4
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_5090"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/0918/MD_1291951402164872935630918.json
| null |
{"exfoliation_energy_per_atom": 0.0356767592857139, "material_id": "2dm-5101", "source_id": "mp-505678", "total_magnetization": 4.4905446, "hash": "12919514021648729356309188783767452662679766383946681233679366898093078853907748135965733429664125427482495440281417818476056120848778704399218082876101173", "id": "MD_1291951402164872935630918"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4839496416045948785627282
|
4839496416045948785627282822670201246171490262576455072113954842509436167586475842705090759807430279237050151776115159033641891096456726294465074085792538
| 2025-04-16T15:42:59
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -17.960115
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_1178396211889144619071144
|
11783962118891446190711448393496453061300246993895794865095887015008322338212624752474463258457315632911469780153626847308166957501898205534705467163213917
|
7301605789666091210588588047813008744461000809137943274696716154869493942837003313722496049605889618052339418114742240610541145880288650740040232621730246
|
[
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3.14924059,
0,
0
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[
0,
3.14924059,
0
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[
0,
0,
22.803662
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[
[
1.574620295,
1.574620295,
1.773885465149
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[
1.574620295,
1.574620295,
21.029776534851
],
[
0,
0,
0
]
] |
[
true,
true,
true
] |
OsSn2
|
OsSn2
|
A2B
|
[
"Os",
"Sn"
] |
[
0.3333333333333333,
0.6666666666666666
] |
[
50,
50,
76
] | 3
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_553"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/6964/MD_1235476003157345577106964.json
| null |
{"exfoliation_energy_per_atom": 0.24412922000000004, "material_id": "2dm-559", "source_id": "mp-20738", "total_magnetization": 1.4e-06, "hash": "12354760031573455771069642598162204515694091438385376735624630173972184170032468685317221344130084399603055256427834094733795740432266710879424834511545788", "id": "MD_1235476003157345577106964"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4840968557129826944464817
|
4840968557129826944464817613436284314524511598842591272913233234613218997086241886671219441659867854576991985483153307305434086473104280558587811625050330
| 2025-04-16T18:52:09
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -45.76364
|
[] |
[] | null | 0.3305
|
unknown
| null | null | null | null | null | null |
CO_2677490456143623750144943
|
2677490456143623750144943073803113867039959351814797953251907461090641033215267952961435224850474637393616219442802275470955182433668654731186961827016483
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10768166569433135055491479937873150757863786631784566529003111636394487728444260520119762027733109645834736502618154347626641821277926290012187384260451498
|
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0,
0
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[
0,
11.78018395,
0
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[
0,
0,
25.607718
]
] |
[
[
0,
4.44001023167475,
14.969257108935661
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[
0,
10.33010220667475,
16.960622349494336
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[
0,
2.3220005401169437,
19.36735988456664
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[
0,
8.212092515116943,
12.562519573863359
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[
2.204919745,
1.0401186192665839,
17.93070493408908
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[
2.204919745,
6.930210594266584,
13.99917452434092
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2.204919745,
0.6346822664943844,
12.977973813074579
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[
2.204919745,
6.5247742414943835,
18.95188003763742
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[
0,
4.893380741948697,
17.891884913986978
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[
0,
10.783472716948697,
14.037994544443018
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[
2.204919745,
2.494446647698451,
15.2647888682898
],
[
2.204919745,
8.38453862269845,
16.6650905901402
]
] |
[
true,
true,
true
] |
Pb4Sb8
|
PbSb2
|
A2B
|
[
"Pb",
"Sb"
] |
[
0.3333333333333333,
0.6666666666666666
] |
[
51,
51,
51,
51,
51,
51,
51,
51,
82,
82,
82,
82
] | 12
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_1075"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/3033/MD_3630447994544748448383033.json
| null |
{"material_id": "2dm-1083", "source_id": "mp-9996", "total_magnetization": 0.0, "hash": "3630447994544748448383033015232953178386492296709273209195512534461143165149422964677475861278719186984810526171349283591408509413319304596878231756727404", "id": "MD_3630447994544748448383033"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4813952427943023690633526
|
4813952427943023690633526151621677399676940148964445017332688485226500665059093468015444305827025007707363062028169808200630562656457959373603585311720527
| 2025-04-16T18:45:21
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -25.223531
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_4054469304377425606500355
|
4054469304377425606500355836788422527680459344157098896018331997096509289354871702684513022983073232065939255549852867475218071753009339729828004310677466
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0
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[
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0
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[
true,
true,
true
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Ru2Te2
|
RuTe
|
AB
|
[
"Ru",
"Te"
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[
0.5,
0.5
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[
52,
52,
44,
44
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| 2
| 0
|
[
0,
0,
0
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[
"twodmatpd_1183"
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data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/9458/MD_4194582101057471786959458.json
| null |
{"exfoliation_energy_per_atom": 0.10185737000000028, "material_id": "2dm-1192", "source_id": "mp-20311", "total_magnetization": 1.7e-06, "hash": "4194582101057471786959458679950051020053595714410861242145057353678939211543528927423133915657940406131979173106992135344576627121756711979142797506589953", "id": "MD_4194582101057471786959458"}
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PO_4811364116690882625236773
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4811364116690882625236773974089258637774266234175009975211360204757566607583968709285567012320883712400929955364155150679233668634601718742429460698981780
| 2025-04-16T15:23:10
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -30.908851
|
[] |
[] | null | 0.4991
|
unknown
| null | null | null | null | null | null |
CO_1165977358499561469887305
|
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0
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[
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25.1287152
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[
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[
0,
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15.039221184398544
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[
true,
true,
true
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C4Rb2
|
C2Rb
|
A2B
|
[
"C",
"Rb"
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[
0.6666666666666666,
0.3333333333333333
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[
37,
37,
6,
6,
6,
6
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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/4310/MD_1029941520890740832224310.json
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{"exfoliation_energy_per_atom": 0.0784054799999998, "material_id": "2dm-3788", "source_id": "mp-1077369", "total_magnetization": 2.0006714, "hash": "10299415208907408322243107857044027214398334766865933405779297308593581988309437179786627855617410206364439917574838934742690652199110055526320153816125099", "id": "MD_1029941520890740832224310"}
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PO_4811855933192017893345281
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| 2025-04-17T18:37:27
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -10.560949
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_1246651196590797401470369
|
1246651196590797401470369364529456833013458952497390490419470700704485423412593389164728353812712079786766628814720968590183627389190213959803907934479905
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0
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[
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0
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[
0,
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22.780419
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[
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9.31942111841172
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0.0013383195849891493,
1.7196903129229124,
13.460997881588279
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[
true,
true,
true
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Ni2Tl
|
Ni2Tl
|
A2B
|
[
"Ni",
"Tl"
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[
0.6666666666666666,
0.3333333333333333
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[
81,
28,
28
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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/3615/MD_1214861616801178019083615.json
| null |
{"material_id": "2dm-6094", "source_id": "mp-1077788", "total_magnetization": -1.48e-05, "hash": "12148616168011780190836150171618953854903512889898396297972160357001272546657076187786138256589046249368346083987439658456469151722499015719571062639610358", "id": "MD_1214861616801178019083615"}
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|
PO_4843648618190018637404695
|
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| 2025-04-16T17:49:49
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -27.084338
|
[] |
[] | null | 0.0492
|
unknown
| null | null | null | null | null | null |
CO_6208578701382254269424931
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6208578701382254269424931688352436791988396543438777302970016538619846439575973934525177960048691077641866622567722080973004191813206816631876563794204301
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[
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21.52267424
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4.197227929869733,
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[
true,
true,
true
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Cr2I4
|
CrI2
|
A2B
|
[
"Cr",
"I"
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[
0.3333333333333333,
0.6666666666666666
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[
24,
24,
53,
53,
53,
53
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| 2
| 0
|
[
0,
0,
0
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[
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data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/3020/MD_8591402053261709654103020.json
| null |
{"exfoliation_energy_per_atom": 0.0861035216666668, "material_id": "2dm-1480", "source_id": "mp-554340", "total_magnetization": 8.0041158, "hash": "8591402053261709654103020520357563383471882205562824148146959345122283952429783560573977797072129406952983045592886696031867698010408180279303625756207816", "id": "MD_8591402053261709654103020"}
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{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4846157646761300151387148
|
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| 2025-04-16T20:25:58
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -164.509239
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[] |
[] | null | 0.0122
|
unknown
| null | null | null | null | null | null |
CO_7302850630785996966228258
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7302850630785996966228258613962545400763427019615738459821443897537662419925171453214700285025628591245954090037706525507357800503549154758315661642211380
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[
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[
true,
true,
true
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Cl28Re8
|
Cl7Re2
|
A7B2
|
[
"Cl",
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[
0.7777777777777778,
0.2222222222222222
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17,
17,
17,
17,
17,
17,
17,
17,
17,
17,
17,
17,
17,
17,
17
] | 36
| 2
| 0
|
[
0,
0,
0
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[
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data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/5302/MD_7519115106095289197445302.json
| null |
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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_4842848608359485216527380
|
4842848608359485216527380164156180948780377787224501079160343809681296940054408972456110893235031381376663895854792816894719518787080550476483965919113029
| 2025-04-16T21:14:40
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -89.686969
|
[] |
[] | null | 1.4729
|
unknown
| null | null | null | null | null | null |
CO_1326788408322077438590009
|
13267884083220774385900097817116623208642702987001748565222576916992669746696899035727875285755119201267117155494263702731434735140138670143348777821550156
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[
true,
true,
true
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Ag2Bi2P4S12
|
AgBiP2S6
|
A6B2CD
|
[
"Ag",
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[
0.1,
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[
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15,
16,
16,
16,
16,
16,
16,
16,
16,
16,
16,
16,
16
] | 20
| 4
| 0
|
[
0,
0,
0
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[
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data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/1111/MD_1476433557653857420451111.json
| null |
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PO_4850132054132988897566775
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| 2025-04-16T18:29:58
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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 | 0.3283
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unknown
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CO_5496477364674360360878101
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true
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Hf2I6
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HfI3
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A3B
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[
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[
0.25,
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[
72,
72,
53,
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53,
53,
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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/9488/MD_1137876433894920585079488.json
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PO_4847080190327925397648716
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| 2025-04-16T20:09:39
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DS_hdv6si8yu2mv_0
| 1
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VASP
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DFT-vdW-optB88
| -35.236193
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[] |
[] | null | 4.6649
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unknown
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CO_5627469851654646817486693
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true,
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true
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F6Zn3
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F2Zn
|
A2B
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[
"F",
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[
0.6666666666666666,
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[
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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/8959/MD_8009716613734169075048959.json
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PO_4848501534932214705405609
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| 2025-04-16T18:27:12
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DS_hdv6si8yu2mv_0
| 1
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VASP
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DFT-vdW-optB88
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[] |
[] | null | 0
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unknown
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CO_1319625616414610649931322
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[
true,
true,
true
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Cu2O4
|
CuO2
|
A2B
|
[
"Cu",
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[
0.3333333333333333,
0.6666666666666666
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[
29,
29,
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8
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| 2
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[
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0
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[
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data/MD/6422/MD_8361437096859737127706422.json
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data/MD/6027/MD_4429748482006748660916027.json
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PO_4844997081039472289391257
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| 2025-04-16T16:23:19
|
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_1338201691311991239862150
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[
true,
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true
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B4Bi4
|
BBi
|
AB
|
[
"B",
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[
0.5,
0.5
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[
83,
83,
83,
83,
5,
5,
5,
5
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| 2
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[
0,
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0
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[
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data/MD/6422/MD_8361437096859737127706422.json
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data/MD/7268/MD_6623835569716505532317268.json
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PO_4856431877412480174768842
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| 2025-04-16T16:20:59
|
DS_hdv6si8yu2mv_0
| 1
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VASP
|
DFT-vdW-optB88
| -125.13429
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[] |
[] | null | 0
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unknown
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CO_1181236036840907594059975
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true,
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true
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I28Tc8
|
I7Tc2
|
A7B2
|
[
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[
0.7777777777777778,
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[
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data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/0150/MD_9302455818093681211160150.json
| null |
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PO_4867033035180761740921561
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| 2025-04-16T19:57:46
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -36.069972
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[] |
[] | null | 0
|
unknown
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CO_1256325374422520904461798
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15.82548792141635
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[
2.18808103,
0,
13.49956707858365
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2.18808103,
2.18808103,
19.3231485206313
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[
0,
0,
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[
0,
0,
19.3231485206313
],
[
2.18808103,
2.18808103,
10.001906479368701
]
] |
[
true,
true,
true
] |
Sm2Te6
|
SmTe3
|
A3B
|
[
"Sm",
"Te"
] |
[
0.25,
0.75
] |
[
62,
62,
52,
52,
52,
52,
52,
52
] | 8
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_4353"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/0309/MD_4296679357946022919060309.json
| null |
{"exfoliation_energy_per_atom": 0.057418018749999966, "material_id": "2dm-4364", "source_id": "mp-9399", "total_magnetization": 1.8e-06, "hash": "4296679357946022919060309203642436066692024386049136294168404404280468383876952171624031831711149294573326787609407962140615608253885672625157640595487419", "id": "MD_4296679357946022919060309"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4868977217336216797110074
|
4868977217336216797110074713037561296083623311245765338277218826227253489100466346012741020558556692794003553018907855593746426611972318711475643720799699
| 2025-04-16T21:37:22
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -39.47342
|
[] |
[] | null | 1.6996
|
unknown
| null | null | null | null | null | null |
CO_1175663064134691405318522
|
11756630641346914053185225619956755971243773729820916889454007238898198409101020688095432229716365617492158033399410298122573068753583590983027932415169154
|
7371433092091623906297731434539813054035679515924531966644804214444054023136834998314255159380645515127625200567705608680672481884617971756008242278094623
|
[
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0
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[
0.00213854,
5.49585713,
0
],
[
0,
0,
22.43107
]
] |
[
[
2.758399422854857,
0.0234476919471346,
11.2162904784376
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0.0068469140507824,
2.770988437063405,
11.2168835559284
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3.6253275498198283,
0.9181703945371196,
12.416754463901299
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3.639546664708876,
0.8767610918333106,
9.995463119006498
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[
1.8844289753506862,
4.633074810979685,
10.0132715941009
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0.8856363418345656,
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10.0148599381676
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1.8861428019428372,
4.659360687467055,
12.434753154469298
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0.8775717598656615,
1.9094325162795975,
12.436537321777099
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4.636108816401036,
3.6674715539731038,
12.415810340164999
],
[
4.621618178802405,
3.622008475980455,
9.9947036029763
]
] |
[
true,
true,
true
] |
Co2F8
|
CoF4
|
A4B
|
[
"Co",
"F"
] |
[
0.2,
0.8
] |
[
27,
27,
9,
9,
9,
9,
9,
9,
9,
9
] | 10
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_5152"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/3059/MD_6995544214193120463143059.json
| null |
{"exfoliation_energy_per_atom": 0.037261124000000034, "material_id": "2dm-5163", "source_id": "mvc-13941", "total_magnetization": 6.0022624, "hash": "6995544214193120463143059601643906335750264583139716895391560120375095470495962986546455076319986511157774396726712640609220238568045030640523516985670688", "id": "MD_6995544214193120463143059"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4870425802113463116209565
|
4870425802113463116209565211394106506702732854349624018777714590149105776773906148357660502801450998900804499001919547423332255541910382163640550882512366
| 2025-04-16T15:41:03
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -18.04718
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_1285197587637729590516006
|
12851975876377295905160062901417128231170581392142778394061779065086321566898927788466368799189454616252241258291270003586726762199956133638519861486485194
|
150126350104161982180602867274899805359958417599517817025678626323800965614945916605621868953991523689970661408778390862183777253554377442919083316760482
|
[
[
4.12734834,
0,
0
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[
-2.06367417,
3.57438814,
0
],
[
0,
0,
25.130928
]
] |
[
[
2.0636762336741703,
1.19146152187062,
12.565464
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[
0,
0,
10.17229272139536
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[
0,
0,
14.958635278604639
],
[
0,
0,
12.565464
]
] |
[
true,
true,
true
] |
Al3Ir
|
Al3Ir
|
A3B
|
[
"Al",
"Ir"
] |
[
0.75,
0.25
] |
[
13,
13,
13,
77
] | 4
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_3747"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/0244/MD_9195009300290985496040244.json
| null |
{"exfoliation_energy_per_atom": 1.0573436474999998, "material_id": "2dm-3758", "source_id": "mp-2294", "total_magnetization": 3.8e-06, "hash": "9195009300290985496040244122095672568025211409433990596553048590437477428019393528435722217672421702309513702483451034765207762243617128055767032007144241", "id": "MD_9195009300290985496040244"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4892947638190168863759374
|
4892947638190168863759374388752249410989248503221319126950834217957076201570963336869902492966558631149846315522404835423245153820397035243798517862766541
| 2025-04-16T15:44:12
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -6.56139
|
[] |
[] | null | 4.8076
|
unknown
| null | null | null | null | null | null |
CO_6189566651875567978723212
|
6189566651875567978723212323735830683708319302756262628541745231397338119546280403890404491353978261518281777061157173637584313081514786364744562904502785
|
5638089806431112463961932630598244679855188877685567032941715823541476604760781173553519779710150103599329727716680720783578741640514304858071465810426088
|
[
[
4.31355956,
0,
0
],
[
0,
4.31355956,
0
],
[
0,
0,
20
]
] |
[
[
2.15677978,
2.15677978,
10
],
[
0,
0,
10
]
] |
[
true,
true,
true
] |
ClK
|
ClK
|
AB
|
[
"Cl",
"K"
] |
[
0.5,
0.5
] |
[
19,
17
] | 2
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_6094"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/3418/MD_7508471116255005221443418.json
| null |
{"material_id": "2dm-6111", "source_id": "mp-1064979", "total_magnetization": 0.0, "hash": "7508471116255005221443418524890445921737153786576775623126108197850383771476260398622306866955376355191045005477733485635248834661928538658240529826646076", "id": "MD_7508471116255005221443418"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4892539143429372980061494
|
4892539143429372980061494466913586858009174698855216296577777020048139059775121546515937376980554172003171048016155534749712506900269836539145002943569638
| 2025-04-16T21:22:14
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -64.476721
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_8326758720532849028398032
|
832675872053284902839803211966543915788874073684040127394211555091466468802254217102782717904485602006365883580939775663039738012584409090353497529780610
|
12925262450046548225130603477856883037381702115241531803220829480467856254356986479953408565526944975629768423331269042287578834437441787120355509089400749
|
[
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5.15791884,
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0.00784757
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[
-2.58169007,
4.52494402,
-0.01458355
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[
0.02980211,
-0.05637059,
21.59630309
]
] |
[
[
-0.7692535589219874,
4.457442750981842,
9.104015029565897
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[
1.8065602517145347,
2.9275000565220557,
9.092467666927808
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[
-0.7438373465921643,
4.410290794232084,
11.473881213629117
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[
-0.7464634492944636,
1.4232741431549738,
10.969127428508642
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[
1.8428269621247433,
2.8908459263399404,
11.45995290926072
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[
0.0743270552325739,
2.8265919357477727,
12.171214924048659
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[
0.9220636387786459,
4.363831005696318,
10.018970549688792
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[
0.0662109848646926,
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12.185560850366473
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1.0335684536129846,
1.432654458321261,
10.025904402838501
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[
2.7883253191234227,
1.3886576440055656,
12.179059701462478
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[
-1.6580496882050726,
3.012801438702525,
10.036474581499036
]
] |
[
true,
true,
true
] |
Fe3Li2O6
|
Fe3Li2O6
|
A6B3C2
|
[
"Fe",
"Li",
"O"
] |
[
0.2727272727272727,
0.18181818181818182,
0.5454545454545454
] |
[
3,
3,
26,
26,
26,
8,
8,
8,
8,
8,
8
] | 11
| 3
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_4403"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/0474/MD_1008282122382642672830474.json
| null |
{"material_id": "2dm-4414", "source_id": "mp-762575", "total_magnetization": 13.9966192, "hash": "10082821223826426728304743078985604078940873891886339158115649776770142982476412066842526637763294289020360416388497470345238647794994075867885821408410416", "id": "MD_1008282122382642672830474"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4891385691080909814145767
|
4891385691080909814145767389591880025301099932777440133449349571615569780511415208912855250284097147188869404852598539469263218209718809241585229081569586
| 2025-04-16T16:56:16
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| null |
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_3681742849952839048952580
|
3681742849952839048952580453944498970756949286623424441547823402348376973578464608834244607643921101376428608579174515441567360757927426717611732315383571
|
9019492644024906713310228663367934503049240763304891759773072569828100385213156819427546791339245440279314837757288332632796072626424869893840053893113280
|
[
[
3.188322,
0,
0
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[
0,
3.18636,
0
],
[
0,
0,
22.957399
]
] |
[
[
1.594161,
0,
8.853773455738999
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[
0,
1.59318,
8.879164339033
],
[
0,
0,
8.875192709005999
]
] |
[
true,
true,
true
] |
Be2N
|
Be2N
|
A2B
|
[
"Be",
"N"
] |
[
0.6666666666666666,
0.3333333333333333
] |
[
4,
4,
7
] | 3
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_2648"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/0807/MD_5184479773496448518730807.json
| null |
{"material_id": "2dm-2659", "source_id": "mp-978259", "total_magnetization": -0.0002026, "hash": "5184479773496448518730807726323687790304521540271167413344722754216689068304922680603436703925407169451925172114426354300248570906894865118929485495514895", "id": "MD_5184479773496448518730807"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4895210565890694518222838
|
489521056589069451822283835685954022905459311509541726110558203555130464414448154353460083944832675710922962177636206770712034760824996598898054094476069
| 2025-04-17T18:48:22
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -36.875493
|
[] |
[] | null | 0.3326
|
unknown
| null | null | null | null | null | null |
CO_1228097426780210800215920
|
12280974267802108002159202311001508012166690532616726613861842815890956231029482588510339726066148858247237846544096873726434759725147121170366019179433593
|
9386027692713944191459771587824671895780304797750457265036700903559687297993984896246045974314915647876377001708428025875156140279876463289777271536162321
|
[
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3.595336,
0.384794,
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[
1.466382,
3.305182,
-0.086396
],
[
-2.526601,
-1.841884,
27.987548
]
] |
[
[
0.6809386560139999,
2.3719116045479995,
10.515958883552
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[
0.9277406714530001,
2.266513433956,
15.020601305396001
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[
0.7057698814350002,
2.1046974702199996,
6.011316461708
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[
0.8871190438700002,
0.24859721435599988,
9.357215661648
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[
0.9503361999870003,
0.051142874871999935,
7.152217811732
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[
2.807983942035,
1.4053597991699995,
13.879700041768002
],
[
2.6393439086840003,
1.525965686354,
11.674702019060001
]
] |
[
true,
true,
true
] |
P4Si3
|
P4Si3
|
A4B3
|
[
"P",
"Si"
] |
[
0.5714285714285714,
0.42857142857142855
] |
[
14,
14,
14,
15,
15,
15,
15
] | 7
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_2022"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/9091/MD_8982178049701896645609091.json
| null |
{"exfoliation_energy_per_atom": 0.12252667857142807, "material_id": "2dm-2029", "source_id": "mp-684588", "total_magnetization": -0.0, "hash": "8982178049701896645609091234610169036425972568370688820264189258152916066231383006202765965557612495978611300773872819484157347398365502436146455850164370", "id": "MD_8982178049701896645609091"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4896407364438227009485084
|
4896407364438227009485084249231630338835974186395781997467086425748313601131951745922418094954507512638031747556740348562896961047062848211427277233871847
| 2025-04-16T17:19:33
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -65.103487
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_9053643811564532834304511
|
9053643811564532834304511587401653663351412141924716961553163230848390089442732215661027283107106657993037684691116981840618669730008868820423248602364581
|
1036391843535569029384279110829113836986862603343988570893349219164841401553270021402413220321438487043002331577066415932512951052022567957646336636458453
|
[
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3.89145852,
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0
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[
-0.03322701,
3.88562137,
0
],
[
0,
0,
28.336523
]
] |
[
[
2.2082258744060987,
1.9354311933772772,
11.85667251542987
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[
0.3985517612028231,
0.1408570013182033,
8.70089288888771
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[
0.033791529922497905,
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17.9951457686299
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[
0.20960448377359772,
3.835375430803077,
14.600311866563759
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[
0.05624372737160819,
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[
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18.04357713691535
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[
0.2764547388601884,
0.0037172135968532,
12.70464863350947
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[
true,
true,
true
] |
BaO6TlW2
|
BaO6TlW2
|
A6B2CD
|
[
"Ba",
"O",
"Tl",
"W"
] |
[
0.1,
0.6,
0.1,
0.2
] |
[
56,
81,
74,
74,
8,
8,
8,
8,
8,
8
] | 10
| 4
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_5785"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/9428/MD_1276202590071317415419428.json
| null |
{"exfoliation_energy_per_atom": 0.020249767500000182, "material_id": "2dm-5796", "source_id": "mvc-438", "total_magnetization": 1.0000095, "hash": "12762025900713174154194284879221548937914423804641430468609291007461630638311347091588954891329674852804555840482685797058636013774135779472600049171367125", "id": "MD_1276202590071317415419428"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4905276342572553498626303
|
4905276342572553498626303030358949788402094647526424319485154491469918469180990154275906393829712145934106361035762485936924037377959629674588364237960234
| 2025-04-16T21:30:02
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -6.363442
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_5044666870242139582212172
|
5044666870242139582212172612529650939681693787964865402341014314552686571288899311975438035748795023996475901962673164239775446794631181662322833849934220
|
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0
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[
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3.86103801,
0
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[
0,
0,
23.530221
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[
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0
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[
1.930519005,
0,
1.71587759952609
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[
0,
1.930519005,
21.814319870252913
]
] |
[
true,
true,
true
] |
AuBr2
|
AuBr2
|
A2B
|
[
"Au",
"Br"
] |
[
0.3333333333333333,
0.6666666666666666
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[
79,
35,
35
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| 2
| 0
|
[
0,
0,
0
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[
"twodmatpd_2113"
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data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/7089/MD_2165668302057125045137089.json
| null |
{"exfoliation_energy_per_atom": 0.1174283100000002, "material_id": "2dm-2120", "source_id": "mp-33154", "total_magnetization": 0.0014512, "hash": "2165668302057125045137089386230918648338037474641290045936172334503666078311318912452026390032496381745380729016321711094424262236726704317849239261572817", "id": "MD_2165668302057125045137089"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4900100733025051687399870
|
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| 2025-04-16T19:00:21
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -72.793287
|
[] |
[] | null | 0.0916
|
unknown
| null | null | null | null | null | null |
CO_7798300841175365271111715
|
7798300841175365271111715351543058359382214273855933022571081569794848113978021610856472810035301577707801501482001380762546159380743963429285858123219630
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0
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[
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0
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[
0,
0,
23.483765
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[
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11.727598265101099
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11.727598265101099
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10.0412582203197
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[
-1.6848640055744675,
5.28260431,
10.0412582203197
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] |
[
true,
true,
true
] |
Mo3O9
|
MoO3
|
A3B
|
[
"Mo",
"O"
] |
[
0.25,
0.75
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[
42,
42,
42,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 12
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_4515"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/5986/MD_5454837461512554475375986.json
| null |
{"exfoliation_energy_per_atom": 0.6704669841666675, "material_id": "2dm-4526", "source_id": "mvc-13534", "total_magnetization": 0.0017248, "hash": "5454837461512554475375986359486801862799638067456472548414486216953737437639710304572035147747057675177018193380563355479017142521263220789686819732843944", "id": "MD_5454837461512554475375986"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4898237454614437872116708
|
4898237454614437872116708480001653083062489386369556472920729067890689037271191135992524246033801761965121605361673060837215611446990017418142522612353949
| 2025-04-16T17:57:27
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -129.337681
|
[] |
[] | null | 4.1367
|
unknown
| null | null | null | null | null | null |
CO_5484300473666489193595596
|
5484300473666489193595596624986169266236045375751893601161389233774053729597333568156535577843637684032983234681085705172021314673718385608560718747826476
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0
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[
2.42222637,
6.76840127,
0
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[
0,
0,
27.561819
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3.3739135794802384,
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11.21102482507575
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13.825397583284282
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[
2.0114104747401766,
1.9647446525435415,
11.34244591728612
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] |
[
true,
true,
true
] |
FeLi2O12P4
|
FeLi2O12P4
|
A12B4C2D
|
[
"Fe",
"Li",
"O",
"P"
] |
[
0.05263157894736842,
0.10526315789473684,
0.631578947368421,
0.21052631578947367
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[
3,
3,
26,
15,
15,
15,
15,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 19
| 4
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_5744"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/5780/MD_8204105797517214397205780.json
| null |
{"material_id": "2dm-5755", "source_id": "mp-763769", "total_magnetization": 3.9999522, "hash": "8204105797517214397205780287026008490696995432816242063988859201806974544154193215203683205195520823397346398000652561326602668081371807669469117310798018", "id": "MD_8204105797517214397205780"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4898904223190445432236837
|
4898904223190445432236837713071421369977297736934703844590509609391661385653582243051345381792598597080667113451633610694230812400283593837706800838681025
| 2025-04-16T17:15:37
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -36.997915
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_5519651525669518398904259
|
5519651525669518398904259780859691413243081150565919241709882090253110514531393314134911491128229190955828467990726789941054717367843741219079200356995939
|
551137009208051707538895590707208681105487808082883027174186366221617776384588664156112748822226414777078188710127850721406430303324044750383398195244308
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0
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0
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[
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25.781741
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[
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15.120185417093749
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0,
10.661555582906251
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[
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[
0,
1.88991519,
12.889210671514421
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[
1.88875863,
0,
12.892530328485579
]
] |
[
true,
true,
true
] |
Ge4Zr2
|
Ge2Zr
|
A2B
|
[
"Ge",
"Zr"
] |
[
0.6666666666666666,
0.3333333333333333
] |
[
40,
40,
32,
32,
32,
32
] | 6
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_3402"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/3886/MD_9972090119073217221083886.json
| null |
{"exfoliation_energy_per_atom": 0.4016995816666662, "material_id": "2dm-3413", "source_id": "mp-2430", "total_magnetization": -2.06e-05, "hash": "9972090119073217221083886751572079474471783274461392886949173900465331213901922095329498096405052740134031137434869743517186607530616558144469622771399696", "id": "MD_9972090119073217221083886"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4907836028673679830124700
|
4907836028673679830124700079994489100493674347613729377835233561032241499673352959253984958608074784088595557447749812796098661710692798729088177635825875
| 2025-04-16T21:51:00
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -17.498634
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_6762666551422830933895858
|
676266655142283093389585817739566757551136215782458627082646275906014192306816717360440253418964942214761727241305970538284564800323606529604061168467402
|
428420728037875498652926905800254369353427935359298253879808350669663231321618081568720716958025947439319394399202481751850807207769695313012577654071547
|
[
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3.99844,
0,
0
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[
0,
3.99844,
0
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[
0,
0,
22.685916
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[
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1.99922,
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16.805885374212
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[
0,
0,
15.617143375811999
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[
0,
0,
17.994627372611998
]
] |
[
true,
true,
true
] |
Si2Th
|
Si2Th
|
A2B
|
[
"Si",
"Th"
] |
[
0.6666666666666666,
0.3333333333333333
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[
90,
14,
14
] | 3
| 2
| 0
|
[
0,
0,
0
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[
"twodmatpd_2007"
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data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/5931/MD_1684717191852870064815931.json
| null |
{"exfoliation_energy_per_atom": 0.9124636966666673, "material_id": "2dm-2014", "source_id": "mp-10128", "total_magnetization": 1.4e-06, "hash": "1684717191852870064815931805070994450845913618155880036145023657276506665241172688039953394236887352208648972106511156438167366487684649417053300108461290", "id": "MD_1684717191852870064815931"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4911571094898536879712344
|
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| 2025-04-16T17:32:29
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| null |
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_5437028369416231633018205
|
5437028369416231633018205655244671923318934820362723020862111545946248894614815091284510415919609458174604670769928425458162029913339821556768676803401036
|
5140336511027673128199318031347263532995514678177569244930988209761946727401892563657442262432543816685203509124023092239194774970411454113862169295910872
|
[
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[
0.00060917,
9.72191753,
-0.00271644
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[
0.0025696,
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23.82197698
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[
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0.0006137740283543,
9.721915611777352,
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[
1.6842052411310098,
7.74707637013891,
23.819436790255505
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1.9590358097355658,
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[
0.0039271289434182,
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21.38282027450865
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0.0003113835709412,
4.860956998792472,
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[
3.3637708857884943,
-0.0014986461425209,
2.4374452527169232
]
] |
[
true,
true,
true
] |
Br5W
|
Br5W
|
A5B
|
[
"Br",
"W"
] |
[
0.8333333333333334,
0.16666666666666666
] |
[
74,
35,
35,
35,
35,
35
] | 6
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_2722"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/1568/MD_8823611079196181028571568.json
| null |
{"material_id": "2dm-2733", "source_id": "mvc-15907", "total_magnetization": 0.9032492, "hash": "8823611079196181028571568091120227797730936055734896557255373807719935596919667456513766952867781437784127476218313644167108489435817917631519615162773538", "id": "MD_8823611079196181028571568"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4910390384986966749160696
|
4910390384986966749160696744559540078674354713168933095514794027207355460509354349798298550372940760211489622055273263241836668018821792664928407191857761
| 2025-04-16T21:51:00
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -20.842142
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_5480530456591227792066176
|
5480530456591227792066176240013526562729898513782920201215951248163812774921505364489763847539664748251507921390717979738931408764475361224227977577736499
|
1688885422804664207267272127858260278117940558940652348717959368760618363428317102571742879969647970350387322718628648880760878392266315569687532222731355
|
[
[
2.96212821,
0,
0
],
[
0,
5.0254793,
0
],
[
0,
0,
20
]
] |
[
[
1.481064105,
2.51273965,
10
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[
1.481064105,
0.568589462144262,
10
],
[
1.481064105,
4.456889837855738,
10
]
] |
[
true,
true,
true
] |
N2Pd
|
N2Pd
|
A2B
|
[
"N",
"Pd"
] |
[
0.6666666666666666,
0.3333333333333333
] |
[
46,
7,
7
] | 3
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_3038"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/7902/MD_1156434230523292712797902.json
| null |
{"exfoliation_energy_per_atom": 0.08356928666666619, "material_id": "2dm-3049", "source_id": "mp-1019239", "total_magnetization": 3e-07, "hash": "11564342305232927127979025777439907678302585977537411515774116992655509316453218610466092178609501490691049968659731915084044397089632987782238505590844801", "id": "MD_1156434230523292712797902"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4910454172454453099883128
|
491045417245445309988312814489511366806375990835861522754195883090937925583504249405429540910267538642749413429533231793893719493872678852866552739655083
| 2025-04-16T16:05:31
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -41.414105
|
[] |
[] | null | 0.6488
|
unknown
| null | null | null | null | null | null |
CO_8618225140478351949330567
|
8618225140478351949330567246313112710756247948421800374236576059627164707362007634438683115999672341019263964117050312433339663940386024130836956719481662
|
8037055539165206895994856360989827678039373224117944641372571209588802960452575674381023354783089283781690006399404388566599640206776623968175202060517472
|
[
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0,
0
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[
0,
6.25665912,
-0.00792438
],
[
0,
0.00067916,
27.21023158
]
] |
[
[
1.103661545,
4.698421969517139,
15.262693463139799
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[
3.310984635,
1.5589163104828607,
11.939613736860199
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[
1.103661545,
2.9808765055877005,
10.101083423024969
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[
3.310984635,
3.276461774412299,
17.101223776975033
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1.103661545,
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[
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10.047440886665521
],
[
3.310984635,
6.077714331553416,
17.154866313334477
]
] |
[
true,
true,
true
] |
Te6Th2
|
Te3Th
|
A3B
|
[
"Te",
"Th"
] |
[
0.75,
0.25
] |
[
90,
90,
52,
52,
52,
52,
52,
52
] | 8
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_5812"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/7324/MD_1857199845710376163127324.json
| null |
{"exfoliation_energy_per_atom": 0.07016785624999944, "material_id": "2dm-5823", "source_id": "mp-1025522", "total_magnetization": -0.0, "hash": "1857199845710376163127324063822180279529758286422352936010772122631737696076379798954759599680165486568162933081679500909300761943624377761562992737489819", "id": "MD_1857199845710376163127324"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4879227106282391334216496
|
4879227106282391334216496732161911432119214037823508454125757820634924651611898373973605525105826836101430091319211985795704909784071540548182018944735959
| 2025-04-16T18:24:08
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -43.476418
|
[] |
[] | null | 1.5476
|
unknown
| null | null | null | null | null | null |
CO_1059367056968067976485198
|
10593670569680679764851985152213470946243009867974402640731913190738363284450451106319142556938226396746613504859621525312829971947234124871641209973168704
|
13040489620599316541666247937372390809233843033015121174753109736642479863221240075370196183759706428052254480405372110662670860608652542847063899030899639
|
[
[
5.14229451,
-0.00105421,
0
],
[
0.00234209,
5.13846785,
0
],
[
0,
0,
22.458968
]
] |
[
[
2.5956107323898787,
5.1088455936489305,
11.228467956287679
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[
0.037623685980839504,
2.6022719931435576,
11.22765426787704
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[
1.592247908710283,
4.204085316174242,
10.059545824201999
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1.6910964195839522,
4.199064345473592,
12.459017271975679
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[
3.5214623433032477,
0.9136531484132298,
12.410568561616397
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0.9554601941967649,
1.6356276543432047,
12.40367770105464
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[
3.4453978772152283,
0.9019230257671328,
9.990906726200398
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[
0.8773276962447673,
1.6599857270502942,
9.98804725039464
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4.165344090096788,
3.495716482513362,
10.061966451773039
],
[
4.2663026326344085,
3.4889895188318185,
12.464965529650478
]
] |
[
true,
true,
true
] |
F8Fe2
|
F4Fe
|
A4B
|
[
"F",
"Fe"
] |
[
0.8,
0.2
] |
[
26,
26,
9,
9,
9,
9,
9,
9,
9,
9
] | 10
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_4187"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/7602/MD_2784133095815989003717602.json
| null |
{"exfoliation_energy_per_atom": 0.180278693, "material_id": "2dm-4198", "source_id": "mvc-13960", "total_magnetization": 7.9990227, "hash": "2784133095815989003717602887836256299464293644795552849270095933943412952763730844403119879419240637968118132803676457910602911422033585946238385426037592", "id": "MD_2784133095815989003717602"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4880927491977673277171666
|
4880927491977673277171666536481730017151918754769209428443893053441672821077773262882022019351739167934950418384350579657846536196913249813047683260260889
| 2025-04-16T18:29:57
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -18.243755
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_8156778113843128441160912
|
8156778113843128441160912111903867776001648855610997803458823104148526464146190699289857139007759131835293259997685973541801647580756551590733006736051042
|
2663267843806714607692913293094900094326554779718124671004052596818567494290385276285273094722715470698037301097302644086694606932710008341657316348356507
|
[
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3.01843499,
0,
0
],
[
0,
3.01843499,
0
],
[
0,
0,
22.696954
]
] |
[
[
1.509217495,
1.509217495,
12.7599914904784
],
[
1.509217495,
1.509217495,
9.936962509521601
],
[
0,
0,
11.348477
]
] |
[
true,
true,
true
] |
Al2Os
|
Al2Os
|
A2B
|
[
"Al",
"Os"
] |
[
0.6666666666666666,
0.3333333333333333
] |
[
13,
13,
76
] | 3
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_4333"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/7084/MD_1294563186575525324737084.json
| null |
{"exfoliation_energy_per_atom": 0.7406069566666655, "material_id": "2dm-4344", "source_id": "mp-7188", "total_magnetization": 0.5019706, "hash": "12945631865755253247370845054156568041248431436515451929361290902060227661164540984368110330876391879678126035709397036323564770207392744957558278815773812", "id": "MD_1294563186575525324737084"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4886789080626734998722171
|
4886789080626734998722171379821028129123297949146955160948130370398161037520383165446175103122776717622930339980847288505831918034225843231370889168397604
| 2025-04-16T16:25:26
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -27.956183
|
[] |
[] | null | 1.25
|
unknown
| null | null | null | null | null | null |
CO_4491004437166917774008135
|
4491004437166917774008135996532445545933085363223080815522692332596055230624115651351646466276034373180360946896468873269028627946940724240134246153652810
|
8416087743365536516637159916508827176957734592909587880752977986626180455504912355686158473298450115142287614594917265934946327748938337427669292995390658
|
[
[
5.35597402,
0.04179456,
0.95786645
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[
0.79448549,
8.04673768,
0.12275524
],
[
0.23301464,
0.05475276,
24.05506248
]
] |
[
[
4.617975867955724,
6.464449532711677,
8.259719294379751
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[
4.168613543217635,
2.020564516973144,
7.668192617822115
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[
5.415154164717934,
5.362184715301731,
7.172795915283826
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[
4.98879346171001,
6.216362647388948,
9.939619791476465
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[
2.9200435507307447,
6.659543132262844,
7.9548845924534834
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[
4.801321353116284,
0.5037477078506668,
7.443313000090024
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[
2.8702970527126803,
2.54145184579013,
6.67101277920567
],
[
4.270649060434889,
2.7239895336233726,
9.221262843066329
]
] |
[
true,
true,
true
] |
C2Cl6
|
CCl3
|
A3B
|
[
"C",
"Cl"
] |
[
0.25,
0.75
] |
[
6,
6,
17,
17,
17,
17,
17,
17
] | 8
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_871"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/5459/MD_3136571947997830183445459.json
| null |
{"exfoliation_energy_per_atom": 0.07205118374999975, "material_id": "2dm-878", "source_id": "mvc-14464", "total_magnetization": -0.0023893, "hash": "3136571947997830183445459905281687429484281385449492485277855969494923264225374243244407498291376202422878534110368673628087926658772340969647073685884168", "id": "MD_3136571947997830183445459"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4887103193057976953519418
|
488710319305797695351941831629293726828758721190847791186998276445394471747978822127211985035409599481609009117176405436709504891519163871802271898510001
| 2025-04-16T18:45:06
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -12.728163
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_1306695994950131145850302
|
13066959949501311458503028851636993757301930743847158023573137504752494330424598990126118232921767611146292546958018459844012463062823122537883615806569064
|
6320232024066693051028671699238264245377149419819392389730783145145825842987129776152572623264666356743910155097434330062813353777692674338856882669544482
|
[
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0,
0
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[
1.91845229,
3.32285656,
0
],
[
0,
0,
22.747798
]
] |
[
[
1.91845036821438,
1.10761774571448,
12.75375176445452
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[
3.83690649178562,
2.21523881428552,
9.99404623554548
],
[
0,
0,
11.373899
]
] |
[
true,
true,
true
] |
NSr2
|
NSr2
|
A2B
|
[
"N",
"Sr"
] |
[
0.3333333333333333,
0.6666666666666666
] |
[
38,
38,
7
] | 3
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_3268"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/8099/MD_5795205239961420459688099.json
| null |
{"exfoliation_energy_per_atom": 0.23844105999999954, "material_id": "2dm-3279", "source_id": "mp-1245", "total_magnetization": 0.000445, "hash": "5795205239961420459688099350723132595276010481349621848072555974719494939313296402659832562080488794582854312303971862980688056555560460145618613966184141", "id": "MD_5795205239961420459688099"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4888235469611356697925311
|
4888235469611356697925311547823109671081163439981905443680145091056462482380092526256783556624716760423331987265558716459509128877975416283138186687186557
| 2025-04-16T18:52:57
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -162.404171
|
[] |
[] | null | 4.1711
|
unknown
| null | null | null | null | null | null |
CO_1321399231354428881125395
|
13213992313544288811253953472476930252281894436411066840652570228888776802963298014898181286471504961139503628831710903600327020063255170782959455099880828
|
9956477377243733455217512978341471862063239221460800477217680000099833659671959286176427622475903530386954135952456266698781000189438380767865068685505732
|
[
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0
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[
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8.81799205,
0
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[
0,
0,
24.011012
]
] |
[
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0.09955326757386079,
1.4693144284330153,
11.98027138682848
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2.5615670893310654,
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3.7559334352079126,
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[
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3.9490814846470017,
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1.77203150695627,
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13.03057427978908
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[
1.4171737600344116,
7.169307525586504,
13.10488163884572
]
] |
[
true,
true,
true
] |
H12Al4O12
|
AlH3O3
|
A3B3C
|
[
"Al",
"H",
"O"
] |
[
0.14285714285714285,
0.42857142857142855,
0.42857142857142855
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[
13,
13,
13,
13,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 28
| 3
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_4940"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/5450/MD_1340404224489293374285450.json
| null |
{"exfoliation_energy_per_atom": 0.07386978428571389, "material_id": "2dm-4951", "source_id": "mp-555462", "total_magnetization": 0.0, "hash": "13404042244892933742854509140068394736324759320679409062454729489967495882709329597472406410281395690679957510701772770772893986412574522548204429252290003", "id": "MD_1340404224489293374285450"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4889169341085672536064883
|
4889169341085672536064883134233566820064023741607232824202661749633653893145761339810829125010539890100203579212739366791682472648121236484353588545912398
| 2025-04-16T17:48:31
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -55.139867
|
[] |
[] | null | 1.3251
|
unknown
| null | null | null | null | null | null |
CO_1305561233899853897318377
|
1305561233899853897318377010004836770422251358105824986974158241781456539318554256696945876637337212399066878279992628136637163492030517763601017596194120
|
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0
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[
0,
10.83768548,
0
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[
0,
0,
30.194773
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[
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0,
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17.81434508684257
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[
0,
9.22739756983556,
13.37302068598643
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] |
[
true,
true,
true
] |
Ga8S6
|
Ga4S3
|
A4B3
|
[
"Ga",
"S"
] |
[
0.5714285714285714,
0.42857142857142855
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[
31,
31,
31,
31,
31,
31,
31,
31,
16,
16,
16,
16,
16,
16
] | 14
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_915"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/7530/MD_6423476269636605332037530.json
| null |
{"exfoliation_energy_per_atom": 0.12495093607142849, "material_id": "2dm-922", "source_id": "mp-19932", "total_magnetization": -0.0, "hash": "642347626963660533203753001724531690327318537060473900441572520710418439489852737443653098136791455680153131371477910727078397183388993316975300026381617", "id": "MD_6423476269636605332037530"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4876795162208935243343142
|
4876795162208935243343142675166432772748440173409298809924978841650988402474307412898865326967683746925897537000945579923919799887378688286635626297130361
| 2025-04-16T15:45:10
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| null |
[] |
[] | null | 2.1965
|
unknown
| null | null | null | null | null | null |
CO_3489494291994641401478834
|
3489494291994641401478834693690855929836558692487880760434664460818939320712900860066897155283439695045139639368295478550580694978234293518476039003022063
|
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[
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0
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[
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18.11849053,
0
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[
0,
0,
24.677675
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[
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2.22664121,
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9.97358673781525
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[
2.22664121,
17.056893382345482,
14.02007641496275
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] |
[
true,
true,
true
] |
Ca2I10La2
|
CaI5La
|
A5BC
|
[
"Ca",
"I",
"La"
] |
[
0.14285714285714285,
0.7142857142857143,
0.14285714285714285
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[
20,
20,
57,
57,
53,
53,
53,
53,
53,
53,
53,
53,
53,
53
] | 14
| 3
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_5173"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/6089/MD_1287442243414818986776089.json
| null |
{"material_id": "2dm-5184", "source_id": "mp-770473", "total_magnetization": -0.0, "hash": "12874422434148189867760899225171217978969081367615358825339313560763590750442183312366983975384372214251512920989255203135407908942892872868595268646043509", "id": "MD_1287442243414818986776089"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4876000688141690259299952
|
4876000688141690259299952861481487174998851154045231157653610973810267262489134955573453288531297632348859049827138177552252997313201783410921741434730524
| 2025-04-16T21:44:51
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -32.033827
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_1179964411252493712029616
|
11799644112524937120296161839401065777026449527785414017542864162737727469968696560401516619530077725462952823207280802046882619821212014821087125857326806
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[
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0
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[
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3.15344656,
0
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[
0,
0,
28.868563
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[
[
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18.87025751205619
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[
-0.000001820643190082787,
2.10229875781552,
9.998305487943812
]
] |
[
true,
true,
true
] |
Ga2NiS4
|
Ga2NiS4
|
A4B2C
|
[
"Ga",
"Ni",
"S"
] |
[
0.2857142857142857,
0.14285714285714285,
0.5714285714285714
] |
[
31,
31,
28,
16,
16,
16,
16
] | 7
| 3
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_4336"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/9622/MD_7864994602276369518119622.json
| null |
{"exfoliation_energy_per_atom": 0.02965752428571422, "material_id": "2dm-4347", "source_id": "mp-6959", "total_magnetization": 2.0088723, "hash": "7864994602276369518119622472809067555303633176882167076903734254400628741330386898307447848166536754115040903318383274762465344662617230943274057388782784", "id": "MD_7864994602276369518119622"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4876911592971370491028205
|
4876911592971370491028205248996080930176410826728681841455721501051169251766327307588659794257766131892378616489149356479622224963517890751693592053825784
| 2025-04-16T21:52:07
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -18.520499
|
[] |
[] | null | 0.686
|
unknown
| null | null | null | null | null | null |
CO_9768430331503409521127233
|
9768430331503409521127233969297867344317844368950786040212494422062581693524728680861391181889345751946172480131074173787301589175182458076703827965745741
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6974626645855914604629168560606989619851474739614603590953025370172309388673090503080192132904581738956332360346125488532892791296790503794512845572864235
|
[
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[
1.626642,
3.864895,
1.341642
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[
-0.105556,
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23.421878
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[
[
4.318358233579,
2.73073943094,
6.539667850712999
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0.7710043980969999,
1.099170289456,
5.873066957349
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2.316457366316,
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7.231980082948
],
[
2.7729036387179997,
3.7960781814180002,
5.180753383472
]
] |
[
true,
true,
true
] |
B2Te2
|
BTe
|
AB
|
[
"B",
"Te"
] |
[
0.5,
0.5
] |
[
5,
5,
52,
52
] | 4
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_541"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/7322/MD_6219190201404462743127322.json
| null |
{"exfoliation_energy_per_atom": 0.06516999875000007, "material_id": "2dm-547", "source_id": "mp-21405", "total_magnetization": 0.0, "hash": "6219190201404462743127322807468274267761382525917599161280215480499184841058662060909300010095197403729583424614525956243774395177461993010129114277440472", "id": "MD_6219190201404462743127322"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4882108940783818333983388
|
4882108940783818333983388242717018759503764179357336191950768435604470849068276690378858094139692138464066670354653152837018924063967557391048353886312313
| 2025-04-16T17:34:29
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -152.451148
|
[] |
[] | null | 1.2675
|
unknown
| null | null | null | null | null | null |
CO_5571871679242938282708629
|
5571871679242938282708629025338876953704531039139542637559835479040551780219653907131563812103889052036099531249050863062319190744789000842199557716312129
|
8639942949831496697409768305124886522566304506752111757959314278285845448477928764436843435141902177707383835353863045679304838579316382880705169032831825
|
[
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[
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7.870841,
0
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[
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26.856058
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[
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22.722856961684002
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22.722856961684002
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[
0.0000041031000000445655,
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20.764056659338
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20.764056659338
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1.4695999668339998,
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20.764056659338
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[
2.9923723334339996,
3.519580357447,
18.579208916806
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4.5442369914,
0.831672414265,
18.579208916806
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[
6.096101307863999,
3.519580357447,
18.579208916806
]
] |
[
true,
true,
true
] |
F18Re6
|
F3Re
|
A3B
|
[
"F",
"Re"
] |
[
0.75,
0.25
] |
[
75,
75,
75,
75,
75,
75,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9
] | 24
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_1528"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/8096/MD_5293118886615900727868096.json
| null |
{"material_id": "2dm-1537", "source_id": "mp-23174", "total_magnetization": 0.0, "hash": "5293118886615900727868096483967837850691009685657697802299275476354541053717121390693964887415515997360010079996755075358047404231575172314668813832590427", "id": "MD_5293118886615900727868096"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4874616018848449276563680
|
4874616018848449276563680181253477316524440311350422469010928000448975886453226051731207509244092809204323972580886397666748197463676211472762468865111202
| 2025-04-16T20:19:02
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -235.547954
|
[] |
[] | null | 1.1011
|
unknown
| null | null | null | null | null | null |
CO_2487857195418905015488232
|
2487857195418905015488232382279864616236002662056708367656176883986157701925204064365870621926560620655916838861215002578697507358986774106155214458474618
|
875295981118144522257095542674753129536193463804682577859844180858558848614006758767945695101899021110373366486452888345900905446349765594908308853922162
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[
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[
0,
6.71104659,
0.11511472
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[
0,
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28.42590951
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[
[
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5.995350354118695,
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15.68179992712636
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16.028684986596463
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3.4051260407698116,
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13.555243209683024
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13.497685849683023
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[
1.7277091392301884,
4.767289785305903,
15.049831080754418
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[
0.071096439928734,
0.9128959540486594,
18.34881169649966
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[
0.071096439928734,
6.60779493572052,
10.198705233937782
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[
5.061738740071266,
3.2522716407205206,
10.141147873937783
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[
5.061738740071266,
4.268419249048659,
18.40636905649966
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[
1.0137357693036289,
0.40482214988459,
14.21620110521872
],
[
4.1190994106963705,
3.76034544488459,
14.27375846521872
]
] |
[
true,
true,
true
] |
O18Ti6V4
|
O9Ti3V2
|
A9B3C2
|
[
"O",
"Ti",
"V"
] |
[
0.6428571428571429,
0.21428571428571427,
0.14285714285714285
] |
[
22,
22,
22,
22,
22,
22,
23,
23,
23,
23,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 28
| 3
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_5099"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/3308/MD_7943984607968805119823308.json
| null |
{"exfoliation_energy_per_atom": 0.045582523214285686, "material_id": "2dm-5110", "source_id": "mp-743987", "total_magnetization": 8.008926, "hash": "7943984607968805119823308038381345229633435317418457146879032977684157460777337498536888390824069460285645944767198337678304447896693651478119223476427937", "id": "MD_7943984607968805119823308"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4874056773851952625409935
|
4874056773851952625409935241957424645564328679396320684605251528354165379259493235272763081117015546022180185745363354379123411032112004641847341802060668
| 2025-04-16T16:09:44
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -6.392491
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_1145293856209327133454014
|
11452938562093271334540148918158512637602507107835819716295149811126460149386917952144372171862812646322179729613455109829811208306598707181161042227646784
|
5710775809520095438495968615284541715169224525020190892699236889635039274458512035523748719649063215272100758564194122608541635460963235845621503695327584
|
[
[
3.639374,
0,
0
],
[
0,
3.639374,
0
],
[
0,
0,
23.530221
]
] |
[
[
1.819687,
1.819687,
0
],
[
1.819687,
0,
1.870558448616
],
[
0,
1.819687,
21.659639021163
]
] |
[
true,
true,
true
] |
AgBr2
|
AgBr2
|
A2B
|
[
"Ag",
"Br"
] |
[
0.3333333333333333,
0.6666666666666666
] |
[
47,
35,
35
] | 3
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_2248"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/7721/MD_1228212679369774788217721.json
| null |
{"exfoliation_energy_per_atom": 0.10177893000000005, "material_id": "2dm-2255", "source_id": "mp-33154", "total_magnetization": 6.3e-06, "hash": "12282126793697747882177210325402289783078353273041799507226951834458590327183068297203676247266186557925409659453468892400764814353577280492347700681460117", "id": "MD_1228212679369774788217721"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4878068044906045235322023
|
4878068044906045235322023906225601374394840245990330938632493936911281346516712026190092384365761141324589002835952822641380333740857174168729522734390650
| 2025-04-16T18:08:36
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -24.658232
|
[] |
[] | null | 2.9553
|
unknown
| null | null | null | null | null | null |
CO_7806751171628958275519990
|
780675117162895827551999067726509301153810851441521103028734199833125823313709324120314000381596600272050374402301331983052476223611408447054917614316987
|
8483723019995913562438835818560537997804729068771017386737642337274692131263147258988620701816324318587983241674870067516042756539674936477119607336563302
|
[
[
6.03146632,
0,
0
],
[
0,
6.19871977,
0
],
[
0,
0,
23.094001
]
] |
[
[
4.52359974,
2.9670020930342615,
1.78215089358943
],
[
1.50786658,
3.231717676965739,
21.31185010641057
],
[
4.52359974,
6.066361978034261,
21.31185010641057
],
[
1.50786658,
0.1323577919657388,
1.78215089358943
],
[
4.52359974,
2.7532952162053346,
22.01569636718802
],
[
1.50786658,
3.445424553794666,
1.0783046328119799
],
[
4.52359974,
5.852655101205334,
1.0783046328119799
],
[
1.50786658,
0.34606466879466574,
22.01569636718802
]
] |
[
true,
true,
true
] |
Cl4In4
|
ClIn
|
AB
|
[
"Cl",
"In"
] |
[
0.5,
0.5
] |
[
49,
49,
49,
49,
17,
17,
17,
17
] | 8
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_906"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/1299/MD_2886887776213102342071299.json
| null |
{"exfoliation_energy_per_atom": 0.08150409499999989, "material_id": "2dm-913", "source_id": "mp-720", "total_magnetization": -0.0, "hash": "2886887776213102342071299590670231985201781164055027580976030958175693964685824220304271945121162345374846259607932883595525352131698803892056351273341059", "id": "MD_2886887776213102342071299"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
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