property_id
string | property_hash
string | last_modified
timestamp[us] | dataset_id
string | multiplicity
int32 | software
string | method
string | energy
float64 | atomic_forces
list | cauchy_stress
list | cauchy_stress_volume_normalized
bool | electronic_band_gap
float64 | electronic_band_gap_type
string | formation_energy
float64 | adsorption_energy
float64 | atomization_energy
float64 | max_force_norm
float64 | mean_force_norm
float64 | energy_above_hull
float64 | configuration_id
string | configuration_hash
string | structure_hash
string | cell
list | positions
list | pbc
list | chemical_formula_hill
string | chemical_formula_reduced
string | chemical_formula_anonymous
string | elements
list | elements_ratios
list | atomic_numbers
list | nsites
int32 | nelements
int32 | nperiodic_dimensions
int32 | dimension_types
list | names
list | labels
list | property_metadata_path
string | configuration_metadata_path
string | hash
string | configuration_metadata
string | property_metadata
string |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
PO_4544783456535426664306899
|
4544783456535426664306899948440354311104525048601980681595626298154310204811820814077188906011824049576609364619973173809639908651034000151213946442121071
| 2025-04-16T18:29:47
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -32.031425
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_5488015867900069287685032
|
5488015867900069287685032227766749267965687177417130369112481626903912695136009534850298226944031397696297902780011765411173839090800342509172866179132702
|
4628052449447129080795261957855129192482653283861689411245205040284380336677464646309892452877126057880041770439166163547744556591910758363841962379894271
|
[
[
3.6533389,
0,
0
],
[
1.82666945,
3.16388435,
0
],
[
0,
0,
26.277482
]
] |
[
[
1.8266676233305499,
1.05462706203855,
11.81790231617072
],
[
3.65334072666945,
2.10925728796145,
14.45957968382928
],
[
3.65334072666945,
2.10925728796145,
9.99062586777486
],
[
1.8266676233305499,
1.05462706203855,
16.28685613222514
],
[
0,
0,
13.138741
]
] |
[
true,
true,
true
] |
PTe2Ti2
|
PTe2Ti2
|
A2B2C
|
[
"P",
"Te",
"Ti"
] |
[
0.2,
0.4,
0.4
] |
[
22,
22,
52,
52,
15
] | 5
| 3
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_3220"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/1444/MD_1418542592498120029481444.json
| null |
{"material_id": "2dm-3231", "source_id": "mp-12527", "total_magnetization": 2.53e-05, "hash": "1418542592498120029481444465835985214439439862610584305393491756431478874452228012685026269713197056669692058108318508706386082489872784682431633970898502", "id": "MD_1418542592498120029481444"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4549211736356888950915018
|
4549211736356888950915018307372604641145738635284961977720075492491403480087296405160142885211880973570709196407193414787803118857148380216569424493180661
| 2025-04-16T17:48:35
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -63.490282
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_7721875424120120420419352
|
7721875424120120420419352157122983276386577441761660823475286263435849116218371808414778312011875394026801613634393063290056977897798985871427440346777812
|
535162235245824009565703733932990475792253249668428313914426555262506890958468150023393499086213972511624577755552514131451798917689558636241495940350170
|
[
[
3.59765,
0,
0
],
[
0,
9.826533,
-3.377476
],
[
0,
-0.038068,
23.997408
]
] |
[
[
0.8994125,
8.577684495889999,
21.020187556264002
],
[
2.6982375,
1.2107805041099997,
-0.400255556264
],
[
0.8994125,
5.8085361334389995,
-1.00820090286
],
[
2.6982375,
3.9799288665610004,
21.62813290286
],
[
0.8994125,
1.224848462961,
1.745511497068
],
[
2.6982375,
8.563616537039,
18.874420502932
],
[
0.8994125,
1.7962739055689998,
21.365099063564
],
[
2.6982375,
7.992191094431,
-0.7451670635640004
],
[
2.6982375,
4.160622403185,
0.41518711590000007
],
[
0.8994125,
5.627842634883,
20.204720886692
]
] |
[
true,
true,
true
] |
Nb4Te6
|
Nb2Te3
|
A3B2
|
[
"Nb",
"Te"
] |
[
0.4,
0.6
] |
[
41,
41,
41,
41,
52,
52,
52,
52,
52,
52
] | 10
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_1534"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/3989/MD_1323492713857824108293989.json
| null |
{"exfoliation_energy_per_atom": 0.10298774299999991, "material_id": "2dm-1543", "source_id": "mp-2330", "total_magnetization": 1.45e-05, "hash": "13234927138578241082939894983429869077033806344803926541403385765699070208574295354922261386732664256807416809385694836066115064466622920767691966814992538", "id": "MD_1323492713857824108293989"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4549339171640207077169202
|
4549339171640207077169202562046934997692634299809391358905787194360121706814242962399413311107451898189836366037422391467955160592363956453655829401351085
| 2025-04-16T21:56:50
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -4.035398
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_2204152078717784780387076
|
2204152078717784780387076341212513061011667819852280352499780940176435161246801039216321913537035392888806613607877213390870706477550646887505181054996251
|
6975380473692629365777551289491773548236487321746931802611589150049303556991905818523655441597669077224674947889442797522374398053242996541440352666238362
|
[
[
5.90496589,
2e-8,
0
],
[
-2.95248341,
5.11385061,
0
],
[
0,
0,
20
]
] |
[
[
1.4751688686132487,
2.557544448890931,
10
],
[
-1.475169274676185,
2.5575444388981956,
10
],
[
-4.353625710827862e-7,
5.1126123010723665,
10
],
[
0,
0,
10
]
] |
[
true,
true,
true
] |
AsHg3
|
AsHg3
|
A3B
|
[
"As",
"Hg"
] |
[
0.25,
0.75
] |
[
80,
80,
80,
33
] | 4
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_4394"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/4459/MD_3072317746419065941684459.json
| null |
{"material_id": "2dm-4405", "source_id": "mp-973599", "total_magnetization": 2.8e-06, "hash": "3072317746419065941684459223919137610683952760375417643132944599988072150144549831585773058900093089485852382736467761448951556474639117387461861968300697", "id": "MD_3072317746419065941684459"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4542828371942480423090401
|
4542828371942480423090401894206724437502145520559386853136552476417620077132692128993717528320015370934741525356357230699194034794188344884004386543783925
| 2025-04-16T20:48:50
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| null |
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_6188171550309371288094683
|
6188171550309371288094683093572766256432989532419735039122611759051736904096510983873502025711896433078778646613734519396869070488449844482550824713905010
|
12962896704973680308799850137311166323152677531099986482190925115283778022656665675992426830098913959357086882829129821502906115975033568280003019007656736
|
[
[
3.507053,
0.268476,
0.000302
],
[
-0.553738,
11.136562,
0.004004
],
[
0.000526,
0.026603,
23.822011
]
] |
[
[
0.015252179666999998,
0.005840564074,
0.000145939068
],
[
1.3825496394479997,
9.163562793376,
0.0037830750719999996
],
[
1.594936271305,
2.281703575443,
23.821754117311002
],
[
0.035476244139,
0.05100720302,
21.08215822428
],
[
3.119211970549,
5.768757478113,
0.0034401553809999996
],
[
0.037121188365,
0.024129144100999998,
2.739374310597
]
] |
[
true,
true,
true
] |
I5Mo
|
I5Mo
|
A5B
|
[
"I",
"Mo"
] |
[
0.8333333333333334,
0.16666666666666666
] |
[
42,
53,
53,
53,
53,
53
] | 6
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_2713"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/9901/MD_1134262304542318593899901.json
| null |
{"material_id": "2dm-2724", "source_id": "mvc-15907", "total_magnetization": 1.475749, "hash": "11342623045423185938999013472688782586783430892066671948063304062249967452498465693649607648030500546960361690601567028593867087167360207137966438709370342", "id": "MD_1134262304542318593899901"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4542731161020729964071778
|
4542731161020729964071778562564157336305759721799681861172688244979598018879840139366857674828432049169463779943435589881539741805178545467880287536214077
| 2025-04-16T16:04:50
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -70.448711
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_3204388822658995329493573
|
3204388822658995329493573331396430688515519746881715386855815247138469702804732019750830578525399027726075221840252121694643152595113950542518757056533357
|
1774913972535060128667280233078315444498114656718801088156959592458208837551493271131328018405903258222732789394895253207832300683750008283934127766170709
|
[
[
5.65558336,
-0.0016369,
-0.00078117
],
[
-0.00058194,
6.5970041,
0.20899288
],
[
-0.00327669,
0.68211216,
22.95787207
]
] |
[
[
5.648362828430782,
6.4997789211405275,
3.0589604280708116
],
[
2.8340264085605127,
3.200278457113016,
2.9558290546468133
],
[
5.64792428765982,
3.5810705366730433,
3.7696683312863417
],
[
2.8334018967011345,
0.2817930678591716,
3.6669176780367985
],
[
2.0138018389325723,
4.624558541289445,
4.973537135038502
],
[
3.8378053687589215,
1.2394112082289035,
1.5973473356123122
],
[
0.8126269967347339,
1.3274334861492387,
4.867506418010469
],
[
4.642382916507669,
4.53756567182661,
1.7006117473111337
],
[
0.8130234733741333,
2.158231828049522,
1.7533544467143445
],
[
2.0133936441705473,
5.455676488242301,
1.8595621392100439
],
[
3.8393254154534833,
2.2431606059391895,
5.024208359617397
],
[
4.643944368079523,
5.541354268388604,
5.127809794675805
]
] |
[
true,
true,
true
] |
Os4Se8
|
OsSe2
|
A2B
|
[
"Os",
"Se"
] |
[
0.3333333333333333,
0.6666666666666666
] |
[
76,
76,
76,
76,
34,
34,
34,
34,
34,
34,
34,
34
] | 12
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_2275"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/7922/MD_6543135984416493156057922.json
| null |
{"exfoliation_energy_per_atom": 0.08318205416666657, "material_id": "2dm-2282", "source_id": "mp-615366", "total_magnetization": 2.5e-06, "hash": "6543135984416493156057922876510554112570447751681036448736399134261560562624807677957791070170491938374775937440135122817741985167986115040873491949070805", "id": "MD_6543135984416493156057922"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4542820162565420737823511
|
454282016256542073782351192187114508081640073857479344293611741825550734822311360266753438513199369551141482174997196719506416627033215186565291474769705
| 2025-04-16T17:20:25
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -120.790802
|
[] |
[] | null | 0.0228
|
unknown
| null | null | null | null | null | null |
CO_6673521501952427504276365
|
6673521501952427504276365742614003542263071292490776958350506383190873784742116814680015887383687470358719025762328462155613180539939640987966477878281037
|
4804674937676054489382950573807920930050353820543729669015019038667851289742606783890293480461406564704608553149813977116673361816932937741321134278295836
|
[
[
4.64382801,
0.00136729,
-0.00187637
],
[
-2.36731949,
14.85721768,
-0.0014228
],
[
-0.0093976,
-0.00379666,
23.12084694
]
] |
[
[
2.35423642937915,
13.134280438875148,
2.049666902570487
],
[
2.348418965350018,
3.698986812753845,
2.0461576706110844
],
[
2.348033287283254,
1.7193669066693893,
21.586457466879047
],
[
0.025280190616135297,
13.130839298481233,
21.588173022696655
],
[
0.022641284828785958,
11.15567866036191,
2.049796056281583
],
[
0.03474559333146149,
1.7204859920022912,
2.056263841018973
],
[
2.7057645580460137,
8.420160994803899,
2.0443240983145516
],
[
2.698702854972888,
6.439902265197122,
21.590350027422364
],
[
0.017835323465129598,
3.6968879257145906,
21.59448573597719
],
[
2.337267903423203,
11.153385068666037,
21.5886582579877
],
[
0.38364435591343304,
6.441750755338014,
2.0450269520317224
],
[
0.3770617220254592,
8.41746981785527,
21.59091905393459
],
[
1.804957488875445,
1.9868396333320917,
2.0520422714171938
],
[
3.2544824272234,
6.70378537245099,
2.042081370021895
],
[
3.2472238267135265,
8.157541719281479,
21.591446615908996
],
[
1.7971581916184798,
11.421333169887147,
2.0482724489466597
],
[
-0.5195006072690345,
12.86715291923048,
2.048654102244486
],
[
1.7921659258981228,
3.431802399705755,
21.594639759715932
],
[
-0.5316626427738578,
11.41769542596821,
21.590846426887712
],
[
0.9253449573521008,
6.700681857043635,
21.5926149715871
],
[
0.9324189415701861,
8.15891867461603,
2.0435244996576123
],
[
4.118380769847452,
1.9858586245833076,
21.588533706685553
],
[
-0.5213638974635176,
3.4325888825987465,
2.0464039354686676
],
[
1.795445828341349,
12.864966878180693,
21.590026849809316
]
] |
[
true,
true,
true
] |
N12Se12
|
NSe
|
AB
|
[
"N",
"Se"
] |
[
0.5,
0.5
] |
[
34,
34,
34,
34,
34,
34,
34,
34,
34,
34,
34,
34,
7,
7,
7,
7,
7,
7,
7,
7,
7,
7,
7,
7
] | 24
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_2881"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/3471/MD_1043009730041572191913471.json
| null |
{"material_id": "2dm-2892", "source_id": "mp-581693", "total_magnetization": -0.0, "hash": "10430097300415721919134717037519931394884280394809425219690489887383042771059261249177891875245908949514705378333571111756472939817238188825938163010224011", "id": "MD_1043009730041572191913471"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4542955463993035932086046
|
454295546399303593208604656527536239555832885353530468673290651899437728389756946442553683479281961382185547211795393708086215542932643055136071150068973
| 2025-04-16T16:30:05
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -27.61274
|
[] |
[] | null | 1.7132
|
unknown
| null | null | null | null | null | null |
CO_5108266111335965661366450
|
5108266111335965661366450775349818004636466640885456922512732002361045890582221425978775113149766668973584813592195926259579903955303269165676893247967238
|
2069764442807680294856251432860680869760918805738039271596363059446200130806390641503486121392059547541632304278892684672672717075941436759279307793417788
|
[
[
2.71373778,
0.00534492,
-0.08108984
],
[
-0.0096554,
4.05827351,
-0.10862348
],
[
0.06594558,
-0.11983677,
22.479598
]
] |
[
[
1.737985606963069,
3.0509410029054997,
5.31662079813655
],
[
0.32784432679462944,
0.9660816833076391,
3.4851866712054305
],
[
1.7012480625147857,
0.018129308305384898,
3.9203135021339386
],
[
0.37047452582951607,
2.0718934983608164,
4.932247061030081
]
] |
[
true,
true,
true
] |
N2P2
|
NP
|
AB
|
[
"N",
"P"
] |
[
0.5,
0.5
] |
[
15,
15,
7,
7
] | 4
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_2015"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/5587/MD_1277132122689361613435587.json
| null |
{"material_id": "2dm-2022", "source_id": "mvc-15384", "total_magnetization": 0.0, "hash": "12771321226893616134355874996564662136324104300015467034240375591202497800999008210499559583985547244286939500121494524127277483606048054324516741154928652", "id": "MD_1277132122689361613435587"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4554003080323452385787657
|
4554003080323452385787657932061054136904189358648034677573704619114001517938340647538602403815892106515877752541156236322340404440146604986444499898744880
| 2025-04-16T17:35:49
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -24.438053
|
[] |
[] | null | 2.2172
|
unknown
| null | null | null | null | null | null |
CO_1257653425250204499289113
|
12576534252502044992891131112880671574929025157598960084589273085494587063853264716103463147198795689895374098363768927778669923612218745321914522859497689
|
10837691777724595251313730789154813558500011177024611527170880263704424543624597861028633344713748793300042721975668885917265127354779024831583473500589385
|
[
[
3.13840437,
0,
0
],
[
-1.56920219,
2.71793751,
0
],
[
0,
0,
23.901006
]
] |
[
[
0,
0,
11.950503
],
[
1.5692037525355198,
0.90597826402083,
13.938173757615838
],
[
-0.0000015725355201228334,
1.81195924597917,
9.96283224238416
],
[
-0.0000015725355201228334,
1.81195924597917,
10.934643083173139
],
[
1.5692037525355198,
0.90597826402083,
12.96636291682686
]
] |
[
true,
true,
true
] |
H2NiO2
|
H2NiO2
|
A2B2C
|
[
"H",
"Ni",
"O"
] |
[
0.4,
0.2,
0.4
] |
[
28,
1,
1,
8,
8
] | 5
| 3
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_4545"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/8857/MD_5518814573557111158078857.json
| null |
{"exfoliation_energy_per_atom": 0.06355548800000044, "material_id": "2dm-4556", "source_id": "mp-32403", "total_magnetization": 2.0002231, "hash": "5518814573557111158078857568262588384911439025553136947262040964799791593272404751566617104871844782965111798031809522772250092447730110813917596358640374", "id": "MD_5518814573557111158078857"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4554049218175742520609510
|
4554049218175742520609510333345330102572329398503786845847615259465044209858312775754460516441444181750499053485240678342235558476968028045021041097210012
| 2025-04-16T18:29:47
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -46.95636
|
[] |
[] | null | 3.0828
|
unknown
| null | null | null | null | null | null |
CO_7106142739984945275318473
|
710614273998494527531847360427401418428331033496833157980212907371773854541606488796027117935824889522797212193589530268633966436385356208618417725286260
|
11527944019885916840389939996759479243844017759961524046377097563059698231229511021018282672607757528525903039391035155960606304105220323120545069487332474
|
[
[
8.006563,
0,
-2.459805
],
[
0,
10.121219,
0
],
[
-0.004903,
0,
24.875599
]
] |
[
[
1.4455053477809998,
6.593579450958999,
23.965699531561
],
[
5.448786847781,
8.588249049041,
22.735797031561003
],
[
2.552873152219,
1.532969950959,
-0.3200030315609999
],
[
6.556154652219,
3.527639549041,
-1.549905531561
],
[
0.769860218741,
4.5751654731030005,
23.174553955967
],
[
6.274394909090001,
7.731578951662,
20.799965622014003
],
[
2.2711134090900003,
7.450249548338,
22.029868122014
],
[
7.316336741037,
9.190421094665,
-1.0064344920190003
],
[
0.6853232589630001,
0.9307979053350001,
23.422228492019002
],
[
3.313055241037,
5.991407405335,
0.22346800798100017
],
[
7.231799781259,
5.5460535268969995,
-0.7587599559669999
],
[
4.773141718741,
0.485444026897,
21.944651455967
],
[
3.2285182812590003,
9.635774973103,
0.4711425440330001
],
[
4.688604758963,
4.129811594665,
22.192325992019004
],
[
5.7305465909099995,
2.670969451662,
0.38592587798600025
],
[
1.72726509091,
2.3896400483380003,
1.615828377986
]
] |
[
true,
true,
true
] |
Br12P4
|
Br3P
|
A3B
|
[
"Br",
"P"
] |
[
0.75,
0.25
] |
[
15,
15,
15,
15,
35,
35,
35,
35,
35,
35,
35,
35,
35,
35,
35,
35
] | 16
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_226"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/4454/MD_9986119615046834596454454.json
| null |
{"exfoliation_energy_per_atom": 0.08680230937499989, "material_id": "2dm-230", "source_id": "mp-569224", "total_magnetization": 0.0, "hash": "9986119615046834596454454745580800857862182973737210220608299465707597527374678758567972198883818686328141923292630692248770199563798734528406862010102483", "id": "MD_9986119615046834596454454"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4562211560016518830409482
|
4562211560016518830409482890782403299860007360097615363781124356215046688056507043893728153365689959566920463927094077409722490925865206587826254163049309
| 2025-04-16T21:27:46
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -34.693468
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_1134947255197444290764839
|
11349472551974442907648394842628247402543685223756685970582988583732529588937992818339760651486152892861334643251863356654344990973743019287614696299325224
|
7498818675177970872513280526251315766900657080874483243007249734113481705320892883995267862836263755994916148533281144456696464909559878159873023674558981
|
[
[
5.52839904,
0,
0
],
[
0,
10.52105803,
0
],
[
0,
0,
20.014903
]
] |
[
[
1.0738571268779713,
7.890793522500001,
10.61878709753006
],
[
4.4545419131220285,
2.6302645075,
9.39611590246994
],
[
2.901906190551398,
1.0975279459905978,
10.207869129998262
],
[
2.626492849448602,
6.358056960990598,
9.80703387000174
],
[
2.626492849448602,
9.423530084009403,
9.80703387000174
],
[
2.901906190551398,
4.163001069009402,
10.207869129998262
],
[
4.539003135135436,
7.890793522500001,
8.95642070755377
],
[
0.9893959048645632,
2.6302645075,
11.058482292446229
]
] |
[
true,
true,
true
] |
Sb2Si6
|
SbSi3
|
A3B
|
[
"Sb",
"Si"
] |
[
0.25,
0.75
] |
[
14,
14,
14,
14,
14,
14,
51,
51
] | 8
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_6095"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/5761/MD_6159699023563611414155761.json
| null |
{"material_id": "2dm-6112", "source_id": "mp-1014324", "total_magnetization": -0.0, "hash": "6159699023563611414155761598493594045096144218954225979445406238947363912127769434812584384310031765140446826657986881344940180457607824312139784568709782", "id": "MD_6159699023563611414155761"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4562568334005015723379164
|
4562568334005015723379164467142685210543655775073111646683896926334506917438949629957053217271618382783704358745072599377877901045683215429046709654448105
| 2025-04-16T16:59:46
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -17.3379
|
[] |
[] | null | 1.9297
|
unknown
| null | null | null | null | null | null |
CO_8283783079963813101456968
|
8283783079963813101456968077733801388989608564313459249886242870469495812970971685748280710932969174782675460710275824780703197713044680180023996040748649
|
8320354536273355692158959578611872107585248002912355621681341560929600575325346367826008865588820514001348117378394351025786436517889133598588412710599996
|
[
[
3.778631,
0,
0
],
[
-1.889315,
3.27239,
0
],
[
0,
0,
25.019273
]
] |
[
[
0,
0,
17.127819006705
],
[
0,
0,
19.723318387725
],
[
1.889317555982,
1.09079557587,
20.877707643944998
],
[
1.889317555982,
1.09079557587,
15.973429750485
]
] |
[
true,
true,
true
] |
Al2Se2
|
AlSe
|
AB
|
[
"Al",
"Se"
] |
[
0.5,
0.5
] |
[
13,
13,
34,
34
] | 4
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_861"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/5665/MD_5674865678020704053585665.json
| null |
{"exfoliation_energy_per_atom": 0.058217308750000196, "material_id": "2dm-868", "source_id": "mp-10009", "total_magnetization": -0.0, "hash": "5674865678020704053585665785607089875450641557358860816359516367960986285057632369274577609105477578925710009759195849949546999459648016825556716028355040", "id": "MD_5674865678020704053585665"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4558311898862275596171261
|
4558311898862275596171261361617348120346207877789913384546512351338806156849602975363672278623726106789890103636916948690515443754590568094102764895655760
| 2025-04-16T18:28:43
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -114.475588
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_1007811818843437349318070
|
10078118188434373493180700670560415517950768527496640341346125397299552709426395584995402820247221396373877455312973372724681204623117978630640255039463424
|
8868347608482316885478780723537344130820845887447330341705077917719158463631346087006636630433077054299141818260096572099463685963062511072209059590296247
|
[
[
3.49600058,
0,
0
],
[
1.74799981,
13.65803717,
-0.0519879
],
[
0,
-0.10544325,
27.60793995
]
] |
[
[
3.496000362189459,
6.1493141204303905,
12.627959031548833
],
[
1.7480000278105408,
7.40327979956961,
14.927993018451167
],
[
3.495998523228489,
9.234112995141096,
12.825360734362942
],
[
1.7480018667715111,
4.318480924858904,
14.730591315637058
],
[
1.748000011945821,
7.8715747770199975,
10.507579502593495
],
[
3.4960003780541795,
5.681019142980004,
17.0483725474065
],
[
0,
-0.052721625,
13.803969975
],
[
1.7480000157471618,
7.755279396751497,
12.636936924260555
],
[
3.4960003742528385,
5.797314523248504,
14.919015125739444
],
[
3.496001868678431,
13.01059352339808,
15.414510463086229
],
[
1.7479985213215694,
0.5420003966019207,
12.141441586913771
],
[
3.4960019861744533,
9.687410879112155,
10.170301272280826
],
[
1.747998403825547,
3.865183040887845,
17.385650777719174
],
[
1.7479999112767757,
11.224476631971111,
12.835519980759635
],
[
1.7479982624198112,
7.390245986333892,
17.673358077773987
],
[
3.496002127580189,
6.1623479336661084,
9.882593972226012
],
[
1.7480001399088192,
4.2239594473287605,
12.229846695303726
],
[
3.4960002500911807,
9.328634472671238,
15.32610535469627
],
[
3.496000478723224,
2.3281172880288885,
14.720432069240365
]
] |
[
true,
true,
true
] |
C2Cl10Sc7
|
C2Cl10Sc7
|
A10B7C2
|
[
"C",
"Cl",
"Sc"
] |
[
0.10526315789473684,
0.5263157894736842,
0.3684210526315789
] |
[
21,
21,
21,
21,
21,
21,
21,
6,
6,
17,
17,
17,
17,
17,
17,
17,
17,
17,
17
] | 19
| 3
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_5218"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/5316/MD_2806526792474155121895316.json
| null |
{"material_id": "2dm-5229", "source_id": "mp-29315", "total_magnetization": 0.2127255, "hash": "2806526792474155121895316448384881269153729151196510348291732994968031327105460909454198312187837853775239273321464032123960193817228819572073491943239140", "id": "MD_2806526792474155121895316"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4552213809047916656985768
|
455221380904791665698576871021850115387941362408550964669381467734350897490679243999314990199603325526192512289051894263671749820273565246409977672435446
| 2025-04-16T16:31:56
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -18.269935
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_6757069002827970798618674
|
6757069002827970798618674462556598218584210798709951557622443578084894348636034591329966137386819473528291185776902041013996297017967905509375647536215533
|
277381015025839965191447066212165860394117973840982470269309311778252824355663035926227417175773143991095451434042685537542611349796394249746439858835839
|
[
[
3.66464381,
0,
0
],
[
-1.83232191,
3.41042071,
0
],
[
0,
0,
24.923409
]
] |
[
[
0,
0,
12.4617045
],
[
-0.916160955,
1.705210355,
11.34734598471012
],
[
0.9161609499999999,
1.705210355,
13.57606301528988
]
] |
[
true,
true,
true
] |
N2Tb
|
N2Tb
|
A2B
|
[
"N",
"Tb"
] |
[
0.6666666666666666,
0.3333333333333333
] |
[
65,
7,
7
] | 3
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_6054"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/4699/MD_1010542250770053052744699.json
| null |
{"material_id": "2dm-6068", "source_id": "mp-1018127", "total_magnetization": 3.0072749, "hash": "10105422507700530527446994257288874493432646286510707561059341551741294878828017195556240970390014318427837752573275062681244532787710668759159609374951362", "id": "MD_1010542250770053052744699"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_1054021025859737149960780
|
10540210258597371499607807545308824395450645863957041630101025216380141881649235718866498436640490645239949286493729058863385578388975872964562223488076257
| 2025-04-16T17:41:23
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -30.454818
|
[] |
[] | null | 1.9372
|
unknown
| null | null | null | null | null | null |
CO_1256867643142833543178156
|
12568676431428335431781566728339564417850245949548639832981868783338322878223602531570703910487466760764106584679566030935275633163721015034616160611993331
|
2390377860317496012684580932039086170579833816963872356129103443409024812032456550904517753354290212600868452117590840075798644468965202381230759437868650
|
[
[
5.44719009,
0,
0
],
[
0,
5.54717706,
0.13015015
],
[
0,
-0.00476441,
21.47574423
]
] |
[
[
2.723595045,
0,
0
],
[
0,
2.77358853,
0.065075075
],
[
2.151305301247069,
3.4066094754307694,
20.89115171680082
],
[
4.874900346247069,
4.909391704569232,
0.7798177381991784
],
[
0.5722897437529314,
0.6330209454307693,
20.82607664180082
],
[
3.295884788752932,
2.1358031745692307,
0.7147426631991785
]
] |
[
true,
true,
true
] |
Pt2S4
|
PtS2
|
A2B
|
[
"Pt",
"S"
] |
[
0.3333333333333333,
0.6666666666666666
] |
[
78,
78,
16,
16,
16,
16
] | 6
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_999"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/4822/MD_5765571101996581045624822.json
| null |
{"exfoliation_energy_per_atom": 0.1325304016666662, "material_id": "2dm-1006", "source_id": "mp-2418", "total_magnetization": 0.0, "hash": "5765571101996581045624822429068321943657233539039389436037571123976740629434768256518010513385923964440579292859179758354337192500506627438654040898598204", "id": "MD_5765571101996581045624822"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_1016076918580802319932798
|
10160769185808023199327988608933798970222880064948721774060261902208244025600727731982700140579208598109172226936628142197161484037113378048124069134701346
| 2025-04-16T21:52:07
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -23.252949
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_1088047034466666215779275
|
10880470344666662157792751770642451692865059623681209529740349687413729582717344658755829452845810501242567449447223836697262116439232978906201144759860858
|
5865163190239557163127568283604332916556597720914897733196324752583440110929439119407740679289701420986747567602622529868548521909759210063099347015498360
|
[
[
3.34494875,
0,
0
],
[
-1.67247388,
2.89681064,
0
],
[
0,
0,
23.127452
]
] |
[
[
1.67247621247421,
0.96560258106312,
11.563726
],
[
0,
0,
13.128963042045001
],
[
0,
0,
9.998488957955
]
] |
[
true,
true,
true
] |
S2Ta
|
S2Ta
|
A2B
|
[
"S",
"Ta"
] |
[
0.6666666666666666,
0.3333333333333333
] |
[
73,
16,
16
] | 3
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_3502"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/5432/MD_3952265476643780686665432.json
| null |
{"exfoliation_energy_per_atom": 0.08845117666666624, "material_id": "2dm-3513", "source_id": "mp-1984", "total_magnetization": 0.10007, "hash": "3952265476643780686665432851448121271674683462843544604331234938979329165895813247166454242909682812950584467973745969338735930939655684144544394793060372", "id": "MD_3952265476643780686665432"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_1016023642007459597146020
|
10160236420074595971460202140358466034090667439681263856209383929819135939870576209887405098284335841551663179605871281427863962767918846109965394633896869
| 2025-04-16T21:51:00
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -53.599664
|
[] |
[] | null | 1.043
|
unknown
| null | null | null | null | null | null |
CO_1017286864221289212917005
|
10172868642212892129170051133439627634128056800903338707874079571171153098367257902032018062162534056373210520714669430235038573034874514898402441763204034
|
4799403822533904160716837452853458689601619752004366309825956148263826565972787997404302657915653201605493391574500957240233183189327525927985056002211988
|
[
[
6.75626217,
0.027418,
-0.00787624
],
[
1.02625779,
8.69264455,
-0.06252285
],
[
-0.03459328,
-0.20184344,
28.7542038
]
] |
[
[
3.7738378457344504,
1.0558357214103273,
12.316548883039433
],
[
7.0170065918844,
5.067085457695773,
16.735124623500663
],
[
7.165440061211775,
4.363755917485054,
11.933754250628233
],
[
3.540060295019368,
8.376127201223312,
16.551842227163796
],
[
6.042086299772934,
1.4998025116871454,
11.762523186340703
],
[
2.7896011181689238,
2.9542732587242564,
13.32825535185921
],
[
4.90747661522559,
7.973836327188829,
13.840764715939567
],
[
2.6720962950247222,
0.307796445712073,
10.449967726301427
],
[
1.60281878782208,
6.539533161395739,
12.379577042984355
],
[
1.4724658543487354,
3.9276231695053676,
9.668811864218192
],
[
5.014890292249438,
5.362472699131673,
11.021824616318954
],
[
2.5345043840868455,
5.466304537225709,
16.21177655560032
],
[
6.035969217213816,
6.983070246920819,
17.723176957534257
],
[
5.867311772788203,
4.42771429628062,
14.750705828224502
],
[
6.885520171078778,
3.33952889368019,
18.24225408851798
],
[
3.7800022887377787,
1.8702922954586174,
16.87551801467508
],
[
2.604366361655959,
8.381441446279576,
18.915695266079116
],
[
0.45632091630452193,
0.5958506133227758,
15.428120695011437
]
] |
[
true,
true,
true
] |
Br14Fe2Te2
|
Br7FeTe
|
A7BC
|
[
"Br",
"Fe",
"Te"
] |
[
0.7777777777777778,
0.1111111111111111,
0.1111111111111111
] |
[
26,
26,
52,
52,
35,
35,
35,
35,
35,
35,
35,
35,
35,
35,
35,
35,
35,
35
] | 18
| 3
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_4534"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/2794/MD_4272749334707753107782794.json
| null |
{"exfoliation_energy_per_atom": 0.05725962222222236, "material_id": "2dm-4545", "source_id": "mp-540998", "total_magnetization": 9.9991541, "hash": "4272749334707753107782794771282090721540744167426606401146642464830947885624396987294642230146825106999497013235442646361613166104383177555033282757647859", "id": "MD_4272749334707753107782794"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_1016491856934953881604820
|
10164918569349538816048200285012929711523918352256462297880722559243753026037512458663082401565837052329666901490365007049773719764302826316816070175480950
| 2025-04-16T17:41:42
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -36.324564
|
[] |
[] | null | 4.5649
|
unknown
| null | null | null | null | null | null |
CO_1224785055125309010580256
|
12247850551253090105802564001401530813942522830187283161024834374772745480463780145503073172921457418267873862081808896240780011688860384452564145428181855
|
5713012081491148037796541861138853174860549034858040744307489743985344676449787074161600829584318494509909322782240076188266542018967469988983212330091991
|
[
[
4.184165,
-0.000118,
0.009493
],
[
-0.002463,
6.476493,
1.266409
],
[
0.021886,
1.364846,
22.906875
]
] |
[
[
1.0549355179120001,
0.583345667873,
3.3708680086340004
],
[
1.06958986047,
3.8136030427299996,
4.04030986786
],
[
1.0548312521450003,
1.9304938208509999,
5.006383107804
],
[
1.067615786066,
2.471088292161,
2.40445086138
],
[
3.160381315469,
3.8461172855159997,
4.082733850518
],
[
3.1484687360100003,
0.629858216264,
3.3591412813459995
],
[
1.0622627677400003,
5.197559800714999,
5.6454464359
],
[
1.061638361478,
5.6769329796440005,
3.030448393634
]
] |
[
true,
true,
true
] |
F6In2
|
F3In
|
A3B
|
[
"F",
"In"
] |
[
0.75,
0.25
] |
[
49,
49,
9,
9,
9,
9,
9,
9
] | 8
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_2460"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/5121/MD_3451873450199974100675121.json
| null |
{"material_id": "2dm-2470", "source_id": "mp-635425", "total_magnetization": 0.0, "hash": "345187345019997410067512131414634264315771201352445579586176088115325969351098846929812576263226707871883810466100599608464044264298795930445581101790840", "id": "MD_3451873450199974100675121"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_1054285716832415966922228
|
10542857168324159669222282007792649971084351950725102277032488493735622530426412570763837632644520128682969798984604924536327365104650508226334008526571147
| 2025-04-16T16:00:44
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -31.743482
|
[] |
[] | null | 0.0871
|
unknown
| null | null | null | null | null | null |
CO_5609680664216650152721821
|
5609680664216650152721821290018092675206533984307271390548539166888660250061689092237290494959549613762308151447566290747406838086561693055227717421925305
|
7417193554239574860038599068593920451127817332151292494609244167986348881116331000864228799219701717034756733125351595899978598360512364359922800799025543
|
[
[
4.87708897,
0,
0
],
[
0,
7.80336577,
0
],
[
0,
0,
24.071701
]
] |
[
[
0,
3.901682885,
12.84296909803877
],
[
0,
0,
12.84296909803877
],
[
2.438544485,
3.901682885,
11.228792562647751
],
[
2.438544485,
0,
11.228792562647751
],
[
0.24043985219943392,
1.9508414425,
14.527880086101282
],
[
4.636649117800566,
5.8525243275,
14.527880086101282
],
[
2.198271770639568,
1.9508414425,
9.54376001249519
],
[
2.678817199360432,
5.8525243275,
9.54376001249519
]
] |
[
true,
true,
true
] |
Se4Sn4
|
SeSn
|
AB
|
[
"Se",
"Sn"
] |
[
0.5,
0.5
] |
[
50,
50,
50,
50,
34,
34,
34,
34
] | 8
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_6315"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/8053/MD_1156689218699385803648053.json
| null |
{"material_id": "2dm-6334", "source_id": "mp-1023900", "total_magnetization": -0.0, "hash": "11566892186993858036480538799000012476054795237630624640973822651676863195598933636997400537820080615472423147556509573364552215536501053113406321650055046", "id": "MD_1156689218699385803648053"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_1016892026245945135725891
|
10168920262459451357258911880740183215854409937466403996904419841018808431172761954606866579659110843731155594069019817033181867729503005338503356737782644
| 2025-04-16T20:44:11
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -13.487274
|
[] |
[] | null | 2.8845
|
unknown
| null | null | null | null | null | null |
CO_9316622468260426548414367
|
9316622468260426548414367775704387387504080750865152523754053408095848657107834783596901085208396491959953454312038275040664578615392513690967987714703294
|
2757958058383915805018928899735852450194349006059856437972207979053228658090726534268907381097526659349333290290849001468638358164761444102739423423561194
|
[
[
3.35711847,
1.7e-7,
0
],
[
-1.67855949,
2.90734994,
0
],
[
0,
0,
23.838
]
] |
[
[
0,
0,
0
],
[
1.67856082855932,
0.9691157908834099,
1.2403957888200001
],
[
1.67856082855932,
0.9691157908834099,
22.597604211180002
]
] |
[
true,
true,
true
] |
F2Ge
|
F2Ge
|
A2B
|
[
"F",
"Ge"
] |
[
0.6666666666666666,
0.3333333333333333
] |
[
32,
9,
9
] | 3
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_2012"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/3278/MD_4938294263390104207583278.json
| null |
{"material_id": "2dm-2019", "source_id": "mp-27922", "total_magnetization": -0.0, "hash": "4938294263390104207583278876389576263404650195907327985646605743176097968235676570465030870586816295370306375543485656330946085164761214646475278976815334", "id": "MD_4938294263390104207583278"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_1055691736493156833919577
|
10556917364931568339195778324504788851654793978274240178283337129865939086726330085125670538490048808964629376098425807812086824979428504013291229159997706
| 2025-04-16T21:21:56
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -15.28123
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_2357854959590730026235218
|
2357854959590730026235218952220952310058617905440014276896015794532398473113302415706913142460754927177150271772988422006590176301357457049615651774222434
|
4136743563816818066339872528187964551905045330391164253567339739999517197355858427653279255911653758062852556285473668362886795827739228045571568665949357
|
[
[
3.08620498,
0,
0
],
[
0,
7.25587404,
0
],
[
0,
0,
20
]
] |
[
[
0.771551245,
1.5362468836519032,
10
],
[
2.3146537350000003,
5.719627156348096,
10
],
[
1.54310249,
3.62793702,
10
],
[
0,
3.62793702,
10
]
] |
[
true,
true,
true
] |
B2Li2
|
BLi
|
AB
|
[
"B",
"Li"
] |
[
0.5,
0.5
] |
[
3,
3,
5,
5
] | 4
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_2982"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/3643/MD_4163402163679109427823643.json
| null |
{"exfoliation_energy_per_atom": 0.6877575187499998, "material_id": "2dm-2993", "source_id": "mp-1080576", "total_magnetization": 0.0633735, "hash": "4163402163679109427823643185631587426118653293091980365927752386559830856112003531456775924726755785374577094334896095381206285216816980630479721142995775", "id": "MD_4163402163679109427823643"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_1054231031268167898897007
|
10542310312681678988970079090914798826689424612102233205059259059898482484783637142115200994069692333205611918872077712287393833517611950797160361493883263
| 2025-04-17T17:35:57
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -17.997564
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_2372287958878677727542246
|
2372287958878677727542246944361971130965499864477310087407776212256199717542779321905890047888008066069559170226465953470347465271434073928670125070846949
|
12991570819011626228002821284974397415391491464226971626052637395082275309777835056752862084549092328172159661931478698955990172049518056686329101890607020
|
[
[
3.97511566,
0,
0
],
[
-1.98755783,
3.44255084,
0
],
[
0,
0,
23.822772
]
] |
[
[
1.9875598175578302,
1.14751579914972,
21.04755913989936
],
[
-0.000001987557830083398,
2.29503504085028,
19.382734258916642
],
[
1.9875598175578302,
1.14751579914972,
18.41762492851404
],
[
-0.000001987557830083398,
2.29503504085028,
22.01264464752996
]
] |
[
true,
true,
true
] |
Pd2Se2
|
PdSe
|
AB
|
[
"Pd",
"Se"
] |
[
0.5,
0.5
] |
[
46,
46,
34,
34
] | 4
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_516"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/2653/MD_8180644521800061220072653.json
| null |
{"exfoliation_energy_per_atom": 0.07266800749999991, "material_id": "2dm-522", "source_id": "mp-10264", "total_magnetization": 1e-06, "hash": "8180644521800061220072653687251079612979656238775803068653291160625674051728189168330663280506131410472834547495732296512461404295262533029640436696150695", "id": "MD_8180644521800061220072653"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_1054311641119252883432681
|
10543116411192528834326816272266247077425048866860331177565314312190731804631556377168373710917087021586662890577679719675258623165678147908724187149252816
| 2025-04-16T15:43:48
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -11.864392
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_6687014739214633431516817
|
668701473921463343151681777467251298419167294610132705417746016153060044571672978337881215453413491614521183435622745681941032100381617102998106801236227
|
2147586528533959888207789432592027637810351891755373212370119682399302935098408399332045640753656119479978409566255529987376699538057731720895991126580907
|
[
[
5.5151425,
0,
0
],
[
-2.75757125,
4.77625491,
0
],
[
0,
0,
22.300729
]
] |
[
[
0,
0,
11.1503645
],
[
2.75757400757125,
1.5920833779150299,
12.59929437781399
],
[
2.75757400757125,
1.5920833779150299,
9.70143462218601
],
[
-0.0000027575712501082044,
3.18417153208497,
11.1503645
]
] |
[
true,
true,
true
] |
KSb3
|
KSb3
|
A3B
|
[
"K",
"Sb"
] |
[
0.25,
0.75
] |
[
19,
51,
51,
51
] | 4
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_6269"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/4468/MD_6509058326389924563824468.json
| null |
{"material_id": "2dm-6288", "source_id": "mp-1025406", "total_magnetization": 0.0107406, "hash": "6509058326389924563824468041069022243050765491148310847063049666505618241622416487915738732104422618095021360566000308687972760265972511045051501304022918", "id": "MD_6509058326389924563824468"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_1054374762485598042049644
|
10543747624855980420496443534752268899339951012804393177385416731830329854237114647688931656487515946545942328585577797209009444303543909967876362446502797
| 2025-04-16T18:55:10
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -53.403073
|
[] |
[] | null | 1.2469
|
unknown
| null | null | null | null | null | null |
CO_8039688498483481651050400
|
8039688498483481651050400190015366032987393389015232418688424405851393923556746435706288907203390547096875739064579328482999731176670938615858912137241627
|
9944777084415008015755726733203011589599485717758923212121336765335002393441360425294263912188641552858842331674787297558938469384985887976908138241455280
|
[
[
5.61893331,
0.00534905,
0
],
[
-1.52699032,
6.15659998,
0
],
[
0,
0,
23.456171
]
] |
[
[
-0.23252335372903146,
4.2668988202501685,
13.4723942739466
],
[
0.40485389547521666,
2.2148405826995066,
12.86502628067706
],
[
0.40485389547521666,
2.2148405826995066,
10.59114471932294
],
[
-0.23252335372903146,
4.2668988202501685,
9.983776726053401
],
[
-0.13395246267380564,
5.648674102178679,
11.7280855
],
[
2.5737218196551583,
2.0177851677874323,
9.995751101348901
],
[
3.2113174708820105,
4.070590051573949,
10.57036747761285
],
[
3.2113174708820105,
4.070590051573949,
12.885803522387151
],
[
2.5737218196551583,
2.0177851677874323,
13.460419898651102
],
[
3.276735005212746,
0.7422878309798189,
11.7280855
]
] |
[
true,
true,
true
] |
P10
|
P
|
A
|
[
"P"
] |
[
1
] |
[
15,
15,
15,
15,
15,
15,
15,
15,
15,
15
] | 10
| 1
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_3009"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/4243/MD_1089278092290276854254243.json
| null |
{"material_id": "2dm-3020", "source_id": "mp-1094075", "total_magnetization": -0.0, "hash": "10892780922902768542542431281727121166881226144978669209058537156214481468710116144081783028223847602452431023665433665544543939411010025314631559799871555", "id": "MD_1089278092290276854254243"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_1016575238322818027324847
|
10165752383228180273248472931624060758375060610983556874921297799990439293829776955996036508449493955174834909441848054214457830328144422560502409220631687
| 2025-04-16T17:42:42
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -12.285906
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_4442971562570639449129979
|
4442971562570639449129979326749619570773265034815654485681451256455192780732347991300333939414664817344072307111250858022807906874078041588299887471422623
|
5666190150607142244080254184649817125567795125534779760324958656349138769523407548083475073650051274762490284087576109294892220449626802086934295622457321
|
[
[
3.83847227,
0,
0
],
[
0,
3.83847227,
0
],
[
0,
0,
24.733725
]
] |
[
[
0,
0,
12.55031031228975
],
[
0,
0,
9.02964214668525
],
[
1.919236135,
1.919236135,
10.78998859635
]
] |
[
true,
true,
true
] |
Ba2Ir
|
Ba2Ir
|
A2B
|
[
"Ba",
"Ir"
] |
[
0.6666666666666666,
0.3333333333333333
] |
[
56,
56,
77
] | 3
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_792"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/2912/MD_1333524178779254748932912.json
| null |
{"exfoliation_energy_per_atom": 0.18386478333333267, "material_id": "2dm-799", "source_id": "mp-12693", "total_magnetization": 0.3838365, "hash": "13335241787792547489329129358049493911601516607473924721698228084553791369865898063612740523117804897570327065814386926655689297402799455635782162557290544", "id": "MD_1333524178779254748932912"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4557749132827810197883702
|
4557749132827810197883702215692985728798708786011830960854708557762538247924042317169461802825149605438185697360712758448579035574789227443126545253540451
| 2025-04-16T18:15:45
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -67.289947
|
[] |
[] | null | 2.1855
|
unknown
| null | null | null | null | null | null |
CO_3628084521371432888311330
|
3628084521371432888311330770570602931859808113972839609741603738767841512366411386891700795284546833681608453310882666122172712884261287126715325611548281
|
362788437021489661049825840575549858890903996859399692197206751939188822775673790037408469359199201191874668449587430798989392484042212975164088957826983
|
[
[
7.01120132,
-0.00102814,
0
],
[
0.00807997,
9.01352618,
0
],
[
0,
0,
27.144762
]
] |
[
[
0.0058905632054616006,
6.642173450445388,
15.020118107822281
],
[
3.5014196874895114,
2.134322292151656,
12.117758894744039
],
[
0.0154215758600984,
8.981186009387892,
11.61783381299004
],
[
3.5098774826475374,
4.475666988273281,
15.52859324671104
],
[
1.8841354870075084,
4.460041492825669,
13.7242138690089
],
[
7.0034310653640155,
6.6303730839013735,
11.568923023580341
],
[
1.7462887941203524,
0.059942204538459,
10.03242498704664
],
[
5.263204759335929,
0.0849210571149372,
10.05006012457518
],
[
1.7528457055100977,
4.614778122974262,
17.0938723314981
],
[
3.5351311471266555,
6.872904177707689,
15.43336372121502
],
[
3.481106104294622,
2.1270184550276903,
15.592210525277101
],
[
5.1533969668595585,
4.426715975255837,
13.74260905987344
],
[
1.6589087320329214,
8.94216087771585,
13.40364725927466
],
[
5.402638578629302,
8.97896827175279,
13.42266976558902
],
[
0.0274337287611897,
2.3648582964737357,
11.694282963448739
],
[
5.246557883661799,
4.574133246009287,
17.11551430734546
]
] |
[
true,
true,
true
] |
Cl12K2Nb2
|
Cl6KNb
|
A6BC
|
[
"Cl",
"K",
"Nb"
] |
[
0.75,
0.125,
0.125
] |
[
19,
19,
41,
41,
17,
17,
17,
17,
17,
17,
17,
17,
17,
17,
17,
17
] | 16
| 3
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_5656"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/8483/MD_1330515203217144834678483.json
| null |
{"exfoliation_energy_per_atom": 0.07148832874999966, "material_id": "2dm-5667", "source_id": "mp-675801", "total_magnetization": -0.0, "hash": "13305152032171448346784837307141670479516908141948857332969138015052491210085908651326700712487104935726948301855561561751144635613117537168844628945981154", "id": "MD_1330515203217144834678483"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4574479666439309803178885
|
4574479666439309803178885926649742089850308511104034833523608193096830229918231424897730279970427298987056657966629875786232345079770495012001243966485909
| 2025-04-16T15:42:59
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -97.499685
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_1203690709587521894445394
|
12036907095875218944453941298688228568707866401053000496916638106953870983473776420146392411330011220020052732021667352446668564159254490275482704604152886
|
10744566544549429443220099046823501081055180064836024194085703881723811000591242908237536985242005101104324510809284352643948106063897602379598302578777729
|
[
[
5.74677424,
0.23349109,
0
],
[
-2.11530653,
17.77146109,
0
],
[
0,
0,
23.120892
]
] |
[
[
0.012966562546257799,
1.536159090768922,
10.0073324491488
],
[
0.35575077516356957,
7.547320257407467,
9.994715147175482
],
[
0.6278795627500219,
10.347990955598037,
13.1294621003688
],
[
0.7339629787429974,
13.392638040242154,
10.03242000422232
],
[
3.7649026144108495,
16.487423165908297,
10.00860109249284
],
[
0.22793219582680735,
4.489440785363557,
13.093301487698643
],
[
3.6073500987429967,
13.509383585242153,
13.088471995777681
],
[
3.2291378951635696,
7.664065802407467,
13.12617685282452
],
[
3.5012666827500216,
10.464736500598036,
9.9914298996312
],
[
2.8863536825462575,
1.6529046357689219,
13.113559550851202
],
[
3.1013193158268075,
4.606186330363558,
10.02759051230136
],
[
0.891515494410849,
16.370677620908296,
13.11229090750716
],
[
0.9884719606872993,
16.0972562640769,
10.349428242345121
],
[
0.3532421727835607,
4.784441927746925,
10.300072767819481
],
[
-0.0788242438070169,
1.7953719014060603,
12.77099047299564
],
[
-1.8849151593127003,
15.9805107190769,
12.77146375765488
],
[
3.502922382975541,
13.234962785628905,
10.29479773630968
],
[
2.7945628761929826,
1.9121174464060602,
10.349901527004361
],
[
0.733886196941636,
10.404627162314526,
10.33694781605244
],
[
0.24907166229769834,
7.4928980109333905,
12.786586439485319
],
[
3.2266292927835605,
4.9011874727469245,
12.82081923218052
],
[
0.6295352629755403,
13.118217240628905,
12.82609426369032
],
[
3.1224587822976986,
7.609643555933391,
10.33430556051468
],
[
3.6072733169416358,
10.521372707314526,
12.783944183947561
]
] |
[
true,
true,
true
] |
Bi12S12
|
BiS
|
AB
|
[
"Bi",
"S"
] |
[
0.5,
0.5
] |
[
83,
83,
83,
83,
83,
83,
83,
83,
83,
83,
83,
83,
16,
16,
16,
16,
16,
16,
16,
16,
16,
16,
16,
16
] | 24
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_4892"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/8450/MD_6122587179309368966468450.json
| null |
{"exfoliation_energy_per_atom": 0.01056370166666687, "material_id": "2dm-4903", "source_id": "mp-581693", "total_magnetization": -0.0, "hash": "6122587179309368966468450794918450614826013510238191722249519277721061694232678948824565787127643357491841358579228521655516173725221624709252417473374461", "id": "MD_6122587179309368966468450"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4574166481617651461629748
|
457416648161765146162974893098446459417903843565921851979767361536231324617190835284675985525906588053589528417166648576479178345132088160379945592806287
| 2025-04-16T21:30:02
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -26.820193
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_2477353887617292523804679
|
2477353887617292523804679433711601218338951822661783928414355050949105232312536697565475785994194463647203309930150178417862062116284583963704801098399979
|
5734334559388216385091713577086041686457204613122871851209857200432510098902201085774137475216723250741977368887991511397502390796900098643541593903164791
|
[
[
3.93672768,
0,
0
],
[
1.96836435,
3.40937096,
0.00025465
],
[
0,
0.00176848,
23.16881258
]
] |
[
[
3.9367276800524893,
0.00110194453428,
9.839514617990487
],
[
1.968364349947511,
3.41003749546572,
13.329552612009516
],
[
3.9367280200058516,
2.273836591807045,
11.57490261695995
],
[
1.9683640099941488,
1.1373028481929552,
11.59416461304005
]
] |
[
true,
true,
true
] |
Co2Y2
|
CoY
|
AB
|
[
"Co",
"Y"
] |
[
0.5,
0.5
] |
[
39,
39,
27,
27
] | 4
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_5156"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/7605/MD_5895242918449302820297605.json
| null |
{"material_id": "2dm-5167", "source_id": "mp-865373", "total_magnetization": 1.411815, "hash": "589524291844930282029760541970939901378292053037600464876598588234016704305542148915250248641799331847590031692690370363906889301861999929362879821767786", "id": "MD_5895242918449302820297605"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4567501343753951896799325
|
4567501343753951896799325456853830446982808375544685506018507023275039766983470581246235987328281869470882867502784497602124176223817563542388168935476514
| 2025-04-16T18:49:22
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -13.503785
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_8822850835853803167507649
|
8822850835853803167507649927443518496430948659540533390720017269606086012074455242936607086955922336242986694137759773088016436946728769546496169201957493
|
6020206108100559256932989078434446303383342324360496101641936047120988751109659397399149463680066726895792964522979367470699530446872073470616151124967436
|
[
[
4.17333611,
0,
0
],
[
0,
7.31262031,
0
],
[
0,
0,
23.993148
]
] |
[
[
3.1300020825,
1.9442158682261028,
13.44287784233076
],
[
1.0433340275,
1.9442158682261028,
10.55027015766924
],
[
1.0433340275,
5.368411754394207,
10.55027015766924
],
[
3.1300020825,
5.368411754394207,
13.44287784233076
],
[
3.1300020825,
0,
10.18070105977896
],
[
1.0433340275,
0,
13.81244694022104
]
] |
[
true,
true,
true
] |
Br2Na4
|
BrNa2
|
A2B
|
[
"Br",
"Na"
] |
[
0.3333333333333333,
0.6666666666666666
] |
[
11,
11,
11,
11,
35,
35
] | 6
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_6225"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/4781/MD_3361032774219299682654781.json
| null |
{"material_id": "2dm-6244", "source_id": "mp-1077288", "total_magnetization": -1.3e-06, "hash": "3361032774219299682654781551305643645137018943149094838136561420694909008514559589134623895505672792327705589462554236943575732439178200618238879271983779", "id": "MD_3361032774219299682654781"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4578800143188491411954346
|
4578800143188491411954346170478647551266115551011320573159427827247860010616620481486913075154245073320654041246600092599477238920247927497152083849215708
| 2025-04-16T16:08:33
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -27.80542
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_7766923727082584462726320
|
7766923727082584462726320481799757101251512708077275149512549712373176926139187953948245461688572898347585584746731815012488236590259603925621066506833107
|
1658072431286829142308665146930361264134913175640304899144183029792157503034052429778834434708731848882148627569781895391978007013546494602820468786618716
|
[
[
4.2483915,
0,
0
],
[
-2.12419525,
3.67921479,
0
],
[
0,
0,
27.28582997
]
] |
[
[
-0.0000017908622500978185,
2.45281108640493,
15.300382630770562
],
[
2.1241980408622503,
1.22640370359507,
11.98544733922944
],
[
0,
0,
13.642914985
],
[
2.1241980408622503,
1.22640370359507,
17.182040205615134
],
[
-0.0000017908622500978185,
2.45281108640493,
10.103789764384869
]
] |
[
true,
true,
true
] |
Br2La2P
|
Br2La2P
|
A2B2C
|
[
"Br",
"La",
"P"
] |
[
0.4,
0.4,
0.2
] |
[
57,
57,
15,
35,
35
] | 5
| 3
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_3852"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/9960/MD_1080710602091875957669960.json
| null |
{"exfoliation_energy_per_atom": 0.05135657999999932, "material_id": "2dm-3863", "source_id": "mp-570988", "total_magnetization": -0.0003505, "hash": "10807106020918759576699603501807381764836281330778493047475787045489942963393597791421864803411169722749283267561194501933366633666125438105161670663884184", "id": "MD_1080710602091875957669960"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4580349383418159876593471
|
4580349383418159876593471963260705746092457483335634428584002897323806696820791892961648444568743774416827020333901438533627583114798363682052726394466614
| 2025-04-16T18:03:13
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -78.945444
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_8536077384552179562207353
|
8536077384552179562207353705521427027293999275531623422721580297941122986058779549112266017132977223084824653892203257514854199940396043348400811654997231
|
10555307404630261245675343236993651478678102367085360819805915108598182619288426911811391360498759682882378248497308082560207540236176349169438548125124085
|
[
[
3.86812521,
0,
0
],
[
0,
3.8680957,
0
],
[
0,
0,
38.6804
]
] |
[
[
1.934062605,
1.93404785,
4.851566143995999
],
[
0,
0,
9.526402700803999
],
[
1.934062605,
1.93404785,
13.367577615787999
],
[
0,
0,
1.010391229012
],
[
1.934062605,
1.93404785,
1.887289821956
],
[
0,
0,
12.490717703244
],
[
1.934062605,
1.93404785,
10.308848011792001
],
[
0,
0,
4.069120833008
],
[
1.934062605,
0,
15.663720426155999
],
[
0,
1.93404785,
37.394648418643996
],
[
1.934062605,
0,
37.394655381115996
],
[
0,
1.93404785,
15.663713463684
],
[
1.934062605,
0,
7.189078802576001
],
[
0,
1.93404785,
7.188890042224
]
] |
[
true,
true,
true
] |
Nd4S10
|
Nd2S5
|
A5B2
|
[
"Nd",
"S"
] |
[
0.2857142857142857,
0.7142857142857143
] |
[
60,
60,
60,
60,
16,
16,
16,
16,
16,
16,
16,
16,
16,
16
] | 14
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_806"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/5369/MD_7439373911719257014775369.json
| null |
{"exfoliation_energy_per_atom": 0.025740827142856304, "material_id": "2dm-813", "source_id": "mp-1119", "total_magnetization": -3e-07, "hash": "7439373911719257014775369774804055550423739978283179455152979288158442162704005640557018878254121693363058368433047310063995976505795605570741801017353608", "id": "MD_7439373911719257014775369"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4572364244718894771439186
|
4572364244718894771439186717751843416333247224271873039890552585240084879646510674453339142849823947111554934801621466714302932342806295459543023706714236
| 2025-04-16T17:21:01
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -114.010508
|
[] |
[] | null | 1.247
|
unknown
| null | null | null | null | null | null |
CO_2286139322153160062603314
|
2286139322153160062603314458998360944574946723265005684575653623486155256869818845451963521013642789752802254624016324605060040400416719525233841038285661
|
3380360602632845417748252880236905259893797088286767731736939107220789814467420523859232829139852568708824619870996332090653936428395206700928410326999631
|
[
[
6.67490332,
-0.004683,
0
],
[
-0.45005316,
6.69207243,
0
],
[
0,
0,
28.041333
]
] |
[
[
2.743461720670128,
4.756138005372109,
13.72004546378688
],
[
2.6996180948168735,
2.523594169784804,
12.227056193601031
],
[
1.8122545442714866,
3.442528238229676,
15.81427680639897
],
[
4.0014827719238175,
2.600448317571182,
14.57849413943565
],
[
1.7684171432683926,
1.2099910900318007,
14.32128753621312
],
[
0.5103898671645428,
3.3656740904432985,
13.46283886056435
],
[
3.9839594520643775,
4.742244530746575,
15.945670080437072
],
[
0.5279131870239827,
1.223877877267905,
12.09566291956293
],
[
4.811663916165474,
3.9769761807392703,
12.44012265413493
],
[
4.011350820203284,
0.505803577720831,
13.130048807133631
],
[
0.5005218188850756,
5.460318830293649,
14.911284192866372
],
[
6.375112042922886,
1.9844632272752094,
15.601210345865072
],
[
3.016901602315377,
1.3290126501897526,
16.54636730976312
],
[
1.4949710367729832,
4.637109757824727,
11.494965690236882
],
[
1.2642715045869213,
4.004821175302763,
18.03505083326682
],
[
3.247601134501439,
1.9613012327117163,
10.00628216673318
]
] |
[
true,
true,
true
] |
Cl2Re6Se8
|
ClRe3Se4
|
A4B3C
|
[
"Cl",
"Re",
"Se"
] |
[
0.125,
0.375,
0.5
] |
[
75,
75,
75,
75,
75,
75,
34,
34,
34,
34,
34,
34,
34,
34,
17,
17
] | 16
| 3
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_3988"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/0805/MD_4606444023605214488690805.json
| null |
{"exfoliation_energy_per_atom": 0.06735011124999968, "material_id": "2dm-3999", "source_id": "mp-580748", "total_magnetization": 0.0, "hash": "4606444023605214488690805859018980634666142243955161737699123927470087821621669516154443297699566471287805699006061510147515494480075330536531633056336374", "id": "MD_4606444023605214488690805"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4560578430463050389595000
|
4560578430463050389595000005022018965243900659445737216307194174519361222210870102124422252775096307556059336438078271005754367999874458529280800608448807
| 2025-04-16T17:14:08
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -25.746617
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_4433752269983818884682094
|
4433752269983818884682094829152140315104248341767861106689192811138146673044383384450113881519745068010239777820659424692250310773038485115450143444330327
|
5903255369519540284282321303950848672149095806373875766893919012156851228638979812536624071140188067195049038444297986469711131436854304290060999346931555
|
[
[
3.70625,
0.000237,
0
],
[
-0.000363,
3.70625,
0
],
[
0,
0,
23.289565
]
] |
[
[
0.038504254393,
1.8918170177929998,
1.0342662920849999
],
[
1.8918107543929998,
0.038810517793,
22.255298707915
],
[
0.038960078493999996,
1.8922729156939997,
21.588565041095
],
[
1.8922665784939998,
0.039266415694,
1.700999958905
]
] |
[
true,
true,
true
] |
Sc2Se2
|
ScSe
|
AB
|
[
"Sc",
"Se"
] |
[
0.5,
0.5
] |
[
21,
21,
34,
34
] | 4
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_2272"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/3855/MD_1777773310457322799353855.json
| null |
{"exfoliation_energy_per_atom": 0.008153515000000056, "material_id": "2dm-2279", "source_id": "mp-22562", "total_magnetization": 1.01e-05, "hash": "1777773310457322799353855936559240719083191724117751656424052123243674694817373519487889183786358214906300327057662845011167355827137242805181801833582910", "id": "MD_1777773310457322799353855"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4576091998464105691800994
|
4576091998464105691800994512260659925471829507741103313098273580201705722534074689290241564716101916199934163888320087642296995698155359642534956946174469
| 2025-04-16T16:00:34
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -13.569946
|
[] |
[] | null | 0.2531
|
unknown
| null | null | null | null | null | null |
CO_1217935439194098213013768
|
12179354391940982130137683084606245462874395817913507956999785754482092129619307233176412061128700964418720539591338168721703924105189172636233541216705120
|
4896399358350704501988485291611154869292244079624546511383054509133353881058080574132586486357235598123093632919887746663989858537964336291084737429765178
|
[
[
3.94157103,
-2e-8,
0
],
[
-1.97078503,
3.78844261,
0
],
[
0,
0,
23.26583
]
] |
[
[
0,
0,
11.632915
],
[
3.8076307388333774e-7,
2.82028241580375,
13.2883967622581
],
[
1.9707856192369262,
0.9681601741962501,
9.9774332377419
]
] |
[
true,
true,
true
] |
CrI2
|
CrI2
|
A2B
|
[
"Cr",
"I"
] |
[
0.3333333333333333,
0.6666666666666666
] |
[
24,
53,
53
] | 3
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_3612"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/7699/MD_1311317759034624636647699.json
| null |
{"exfoliation_energy_per_atom": 0.08496090333333361, "material_id": "2dm-3623", "source_id": "mp-27215", "total_magnetization": 4.0023242, "hash": "13113177590346246366476995000927289969272733019076369943186706444368448600316944756468373015412422502035829937126624878935295559875182456915601912037244145", "id": "MD_1311317759034624636647699"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4582866549342426933015082
|
4582866549342426933015082682783866410377882651728556481342104288236670752843647939934836945613602434299362968952717993685948202817471515831300244102931706
| 2025-04-16T21:13:01
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -2.600013
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_2125702605683317220138706
|
2125702605683317220138706592728846484377849480777134904953197300322112005029477695588628482751012723567601203378955565729909139633747801060957657978817703
|
3647984161951361935243116197596402063422345511687727110963627287778539348786555555248403988326317349315128151315319989065168730591426438481263439283743115
|
[
[
2.76838793,
8.4e-7,
0
],
[
-1.38419161,
2.39749086,
0
],
[
0,
0,
20
]
] |
[
[
0,
0,
10
]
] |
[
true,
true,
true
] |
Ga
|
Ga
|
A
|
[
"Ga"
] |
[
1
] |
[
31
] | 1
| 1
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_5926"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/4947/MD_1150771797973638949004947.json
| null |
{"exfoliation_energy_per_atom": 0.51436413, "material_id": "2dm-5937", "source_id": "mp-1055985", "total_magnetization": -3e-07, "hash": "11507717979736389490049472182618132497372324313913403418296916428233364886101271249277798940098425222550196348655130879970569492927074691441176370137976747", "id": "MD_1150771797973638949004947"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4573124915071082769318376
|
4573124915071082769318376500672820346398366111381557054043597160746724566733936329766647909848345612270790340749096687331998769454293519319975915490008559
| 2025-04-16T17:11:55
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -13.081151
|
[] |
[] | null | 1.2766
|
unknown
| null | null | null | null | null | null |
CO_9198535518388287274653807
|
9198535518388287274653807280880625317826374637835258611502347197245956559356024147312578402955071357057714205974669236922806999908728576570042403636052390
|
11791100259852745875873621689490535006184030039403951723932917764451334413826885684467622421702826853050146404885465525182995307459995031104563915854079569
|
[
[
4.37719235,
0,
0
],
[
-2.18859567,
3.79076007,
0
],
[
0,
0,
24.623155
]
] |
[
[
0,
0,
0.07463672250980001
],
[
0,
0,
2.8768177515652
],
[
2.1885985319293395,
1.26358542641331,
23.316423862674
],
[
-0.0000018519293403359275,
2.52717464358669,
4.258160988246001
]
] |
[
true,
true,
true
] |
In2Te2
|
InTe
|
AB
|
[
"In",
"Te"
] |
[
0.5,
0.5
] |
[
49,
49,
52,
52
] | 4
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_143"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/0062/MD_1304765579577871462080062.json
| null |
{"exfoliation_energy_per_atom": 0.07452530750000008, "material_id": "2dm-145", "source_id": "mp-9889", "total_magnetization": -0.0, "hash": "1304765579577871462080062773775341394089069016570651308843910268582116900667459896091134871418424149315188930587734733164731337872209598166050660513060781", "id": "MD_1304765579577871462080062"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4583345751788078673946059
|
4583345751788078673946059816514485495029541177742820644400238200836670040214827050039239811023523686480813681572777306933766324421873618314027268978179395
| 2025-04-17T18:37:27
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -38.390747
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_3191187586033458909482268
|
3191187586033458909482268673215737299741287385985323466868836418268271331476327884086550062069186088192380625293600039051324768136580915469230455641570395
|
11299000769226357575960977787519611372055034484107435905429311155075915257689313773743530728247833284163731212191778739423879369615918743390877635922238846
|
[
[
4.33416039,
-0.45416269,
0.96953782
],
[
1.20817336,
5.76825077,
1.90324557
],
[
0.55218708,
-0.33589931,
22.57389097
]
] |
[
[
2.74270064194484,
0.9912592238935385,
23.351117408665313
],
[
3.35182018805516,
3.9869295461064618,
2.0955569513346854
],
[
1.0354124085663388,
3.19504632758579,
2.149045435881097
],
[
5.059108421433662,
1.7831424424142097,
23.297628924118904
],
[
3.154260101498351,
5.288227593999093,
4.178338713415272
],
[
2.9402650626620397,
-0.3100392781617826,
21.26833661612255
]
] |
[
true,
true,
true
] |
As4Mo2
|
As2Mo
|
A2B
|
[
"As",
"Mo"
] |
[
0.6666666666666666,
0.3333333333333333
] |
[
42,
42,
33,
33,
33,
33
] | 6
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_2490"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/5079/MD_5752890775109074710825079.json
| null |
{"material_id": "2dm-2501", "source_id": "mvc-13455", "total_magnetization": -4e-07, "hash": "5752890775109074710825079187519331165906345706967468588301255274197807377686060383974745860671289507372598805265521656990276431832528882650429376455663264", "id": "MD_5752890775109074710825079"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4585277014931319876003997
|
4585277014931319876003997036562197620413561175615016405464511427011337665864986244988542866533854765240938316898535827681236904856727714047246218482063722
| 2025-04-16T20:14:53
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -67.93241
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_1095128774916244294595342
|
10951287749162442945953429139010820545125032073385529719227764295826928871572083893748013620427857969301854065199919642546003643722393310165877229796011802
|
9613879814177109629849274516584371159862265952033809958084967021945430771785281816026289382667279299128197574769503938516775934471766622437495447435233686
|
[
[
3.64636069,
0,
0
],
[
0,
7.19157742,
0
],
[
0,
0,
24.890906
]
] |
[
[
0,
3.59578871,
16.07259763904208
],
[
1.823180345,
0,
15.535069563245921
],
[
1.823180345,
2.308497790135484,
14.973259910828641
],
[
0,
1.287290919864516,
16.63438240055336
],
[
0,
0,
14.13942675637258
],
[
1.823180345,
3.59578871,
17.46824044591542
],
[
1.823180345,
4.8830796298645165,
14.973259910828641
],
[
0,
5.904286500135483,
16.63438240055336
]
] |
[
true,
true,
true
] |
F6Pu2
|
F3Pu
|
A3B
|
[
"F",
"Pu"
] |
[
0.75,
0.25
] |
[
94,
94,
9,
9,
9,
9,
9,
9
] | 8
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_531"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/2135/MD_6878640093183857371332135.json
| null |
{"exfoliation_energy_per_atom": 0.2254970187499996, "material_id": "2dm-537", "source_id": "mp-27978", "total_magnetization": 9.9990209, "hash": "6878640093183857371332135188132784867931856581608244454246747506712515730614108620334237154145005589662963334331577208135357764670669293890282230850509866", "id": "MD_6878640093183857371332135"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_1055030021993141615718441
|
10550300219931416157184412472616063192570724407731048542635432543544797819043039022461285614652039742902076303147792765014671140867282718175813679096869273
| 2025-04-16T19:56:48
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -16.581202
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_3693827402902851204212201
|
3693827402902851204212201025789392215774991283815155250863855916567618036998315131002049674305050996236354244908227997305648231603100203497085988971069344
|
536254638846560417341091396704407495918062529239107889206276152417277281224145939464206146064575839946611121803899482056669059371078862708632582502415069
|
[
[
3.470518,
0,
0
],
[
-1.735259,
3.005557,
0
],
[
0,
0,
22.670328
]
] |
[
[
0,
0,
0
],
[
-0.0000017352589999735119,
2.0037056685190002,
21.134707992264
],
[
1.7352607352590004,
1.001851331481,
1.5356200077360003
]
] |
[
true,
true,
true
] |
RuSe2
|
RuSe2
|
A2B
|
[
"Ru",
"Se"
] |
[
0.3333333333333333,
0.6666666666666666
] |
[
44,
34,
34
] | 3
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_2233"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/7672/MD_1328599325199752117007672.json
| null |
{"exfoliation_energy_per_atom": 0.06490681666666731, "material_id": "2dm-2240", "source_id": "mvc-11234", "total_magnetization": 1.6369126, "hash": "13285993251997521170076725841828005715736639693013600032048112313917401887048321764307163711129682542854148761210928661512261824775230459653041244889125497", "id": "MD_1328599325199752117007672"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_1054991344527145420408758
|
10549913445271454204087586349326652034277413371965289379571782483944959893053070215466971776320154393490015715989261255458074531230411429246200825347329229
| 2025-04-16T16:46:19
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -21.520261
|
[] |
[] | null | 1.0706
|
unknown
| null | null | null | null | null | null |
CO_1091163188065732059962059
|
10911631880657320599620596683220291170150027514938714498095672475965227052784726642824177220748731077970397628494961930390452619991788721095262539307183173
|
1783041798951434261177170607697806338385246839046670137255866791824344094551489017732907756592158066887471431171596684383801343430568960198888316482925353
|
[
[
3.49539035,
0,
0
],
[
0,
3.63245729,
0
],
[
0,
0,
23.33089924
]
] |
[
[
0,
0,
11.66544962
],
[
1.747695175,
0,
9.997044183353019
],
[
1.747695175,
0,
13.333855056646982
],
[
0,
1.816228645,
11.66544962
]
] |
[
true,
true,
true
] |
Cl2OV
|
Cl2OV
|
A2BC
|
[
"Cl",
"O",
"V"
] |
[
0.5,
0.25,
0.25
] |
[
23,
17,
17,
8
] | 4
| 3
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_4107"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/1617/MD_6129228799724884171361617.json
| null |
{"exfoliation_energy_per_atom": 0.060330299999999504, "material_id": "2dm-4118", "source_id": "mp-540793", "total_magnetization": 1.0035019, "hash": "6129228799724884171361617136917535339833001964368459143957368069432120324755276885718763286030225083830431442103316993763533951659210330439140660887267583", "id": "MD_6129228799724884171361617"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_1055431765000214393122619
|
10554317650002143931226192369597200231445131320557456312053150337381958591869698450084179164833963210713018763785036523348218089465045269025634981312283532
| 2025-04-16T21:23:51
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -18.337317
|
[] |
[] | null | 0.4926
|
unknown
| null | null | null | null | null | null |
CO_8172510294992976914711098
|
8172510294992976914711098229985188015798401469196274516766372381336971666102826087806361344900239039354762509654092267706838708745448551963882768600625786
|
3611996442660516839761972890951538833106433546155849325649688247356510248974001020617545421603891862349187495259706606583051378085997747236491998109439210
|
[
[
3.99922453,
0,
0
],
[
-1.99961226,
3.46342924,
0
],
[
0,
0,
26.456756
]
] |
[
[
1.9996142662789305,
1.15447525885692,
11.34706480216356
],
[
-0.000001996278929885552,
2.30895398114308,
15.10969119783644
],
[
0,
0,
13.228378
],
[
1.9996142662789305,
1.15447525885692,
16.4608948733494
],
[
-0.000001996278929885552,
2.30895398114308,
9.995861126650599
]
] |
[
true,
true,
true
] |
In2Se3
|
In2Se3
|
A3B2
|
[
"In",
"Se"
] |
[
0.4,
0.6
] |
[
49,
49,
34,
34,
34
] | 5
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_3252"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/0996/MD_5494522849368349233800996.json
| null |
{"exfoliation_energy_per_atom": 0.05117820800000006, "material_id": "2dm-3263", "source_id": "mp-1017565", "total_magnetization": 0.0, "hash": "5494522849368349233800996438321449314445388291440169797998580309426678617187555371969923437327932572795041203623484618407137507968222828252111210264461254", "id": "MD_5494522849368349233800996"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4597743751259477256682259
|
4597743751259477256682259382799131456959767997354537823794285385651911882130323980656718370299602386485275668924513447800215851157406822366566981405610900
| 2025-04-17T18:48:22
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -79.552829
|
[] |
[] | null | 4.1621
|
unknown
| null | null | null | null | null | null |
CO_6526857251060278019528100
|
6526857251060278019528100514986608438542779966162153843697709323835663290642597829588486233976240180488103243235046536865703163161059249148362682098374400
|
8393436371179280780346647211048877221803243615848626956864443954783560724743111824651437066860081873464024278103968156417226437306262593309416426189300968
|
[
[
5.10707674,
0,
0
],
[
0,
7.64343084,
0
],
[
0,
0,
25.405903
]
] |
[
[
0,
5.178985727660889,
12.535581984098538
],
[
2.55353837,
1.3572703076608896,
12.87032101590146
],
[
0,
2.378294703958227,
11.353572347023539
],
[
2.55353837,
6.2000101239582275,
14.052330652976458
],
[
0,
3.0698338799043023,
10.063904179749919
],
[
2.55353837,
6.891549299904302,
15.341998820250078
],
[
0,
3.3497929550876266,
12.63557326683079
],
[
2.55353837,
7.171508375087626,
12.77032973316921
],
[
1.3221458682595044,
5.235769463280025,
13.783766122658609
],
[
1.2313925017404956,
1.414054043280025,
11.62213687734139
],
[
3.7849308717404955,
5.235769463280025,
13.783766122658609
],
[
3.8756842382595047,
1.414054043280025,
11.62213687734139
]
] |
[
true,
true,
true
] |
As2O8P2
|
AsO4P
|
A4BC
|
[
"As",
"O",
"P"
] |
[
0.16666666666666666,
0.6666666666666666,
0.16666666666666666
] |
[
33,
33,
15,
15,
8,
8,
8,
8,
8,
8,
8,
8
] | 12
| 3
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_5229"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/4063/MD_9310349324199703018074063.json
| null |
{"exfoliation_energy_per_atom": 0.18998509333333402, "material_id": "2dm-5240", "source_id": "mp-8140", "total_magnetization": -0.0, "hash": "9310349324199703018074063444174215559658588893326293342438248108446177172451999973316154782015990024750830004911281390453198446237817913670417263154675158", "id": "MD_9310349324199703018074063"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4592415444480669726472189
|
4592415444480669726472189567724688448743225940381825396235332105834410582071790235667700034060837310120651612560697385297070183523375611739951499207281826
| 2025-04-16T20:24:25
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -40.583796
|
[] |
[] | null | 1.7152
|
unknown
| null | null | null | null | null | null |
CO_4964794358894546637027262
|
4964794358894546637027262562062501180575969037534936543594449241019661701132349047520285030607731066073097209155193190254829212745783314600071005941275341
|
2338229419684533147244099523714330685632624773392399756304908267685404108096889467849815999311139019111729223077352794902425832626767263680270518526951003
|
[
[
5.15803,
-0.003132,
0.009119
],
[
0.002903,
5.145209,
0.179308
],
[
-0.068864,
-0.318369,
22.424918
]
] |
[
[
0.005237746165,
2.577018810418,
0.097285839248
],
[
2.583503098996,
0.001417783428,
0.011761328894
],
[
0.8830780365220001,
0.6576990644140001,
21.303918188078
],
[
1.640212775806,
1.5844559194390002,
1.2381340811030002
],
[
3.5354317367489996,
3.4996890747619998,
1.313069117895
],
[
4.211504158127,
0.925050170114,
1.222178138299
],
[
4.136799437132001,
3.899777331182,
21.398893748956
],
[
3.4778872211249996,
1.327612217361,
21.305610833949
],
[
1.5710560125319997,
3.231306676552,
21.394117441756002
],
[
0.950688154243,
4.155214638598001,
1.329852964934
]
] |
[
true,
true,
true
] |
F8Pb2
|
F4Pb
|
A4B
|
[
"F",
"Pb"
] |
[
0.8,
0.2
] |
[
82,
82,
9,
9,
9,
9,
9,
9,
9,
9
] | 10
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_2037"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/9182/MD_4013444410232804405369182.json
| null |
{"exfoliation_energy_per_atom": 0.052403211999999755, "material_id": "2dm-2044", "source_id": "mvc-13985", "total_magnetization": 0.0, "hash": "4013444410232804405369182890071108665199234804812593739242895772695180340515280935205103782249553321996555162257132090362941332867042597776289476750649482", "id": "MD_4013444410232804405369182"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4587919021099702661405373
|
4587919021099702661405373753241801833699924940728845797370999760537831858795857519887144998910623312964728785519905195030701397818826934015577160238127437
| 2025-04-16T21:43:16
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -10.617617
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_9739867581695519251444611
|
9739867581695519251444611190445064071043103297312792689544398633401412626575024521454969709646778229141267793850529909611286234700333813375995017769055961
|
119735621989655924459077459871949453236886463551585949137835336463573297509531589931876942344571892544017967511429557159289482237028335725678940893933323
|
[
[
3.991153,
0,
0
],
[
-1.995577,
3.45644,
0
],
[
0,
0,
22.858091
]
] |
[
[
0,
0,
0
],
[
1.9955783289100002,
1.1521455145200001,
21.341502378332002
],
[
-0.000002328909999948878,
2.3042944854800003,
1.5165886216680002
]
] |
[
true,
true,
true
] |
I2Rh
|
I2Rh
|
A2B
|
[
"I",
"Rh"
] |
[
0.6666666666666666,
0.3333333333333333
] |
[
45,
53,
53
] | 3
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_92"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/2944/MD_7072128303429750501562944.json
| null |
{"exfoliation_energy_per_atom": 0.10717276333333325, "material_id": "2dm-94", "source_id": "mp-30033", "total_magnetization": 1.0052913, "hash": "7072128303429750501562944103707164493885258517713114867800894957027988571542132964581260132011835827599455175765179573150257585141059328331454132801651453", "id": "MD_7072128303429750501562944"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_1017331198705520415169728
|
10173311987055204151697287157607731841858927930850668832142197476657226802157235576142091883736238017695004839066635766392782624540839818110196584082230761
| 2025-04-16T16:08:59
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -12.281247
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_6999533908357562535114637
|
6999533908357562535114637469156060583932406340051501802773068246457043367440176805236646682135943467862463083068619805658634294010809143347470026444423230
|
11664300592249139387900709231090642720204441091895099378240213571149468997093189515884655804557550019080497052426262945640510744600927400238841819408410506
|
[
[
5.28024605,
0,
0
],
[
0,
5.28024605,
0
],
[
0,
0,
23.993582
]
] |
[
[
0,
0,
0
],
[
2.640123025,
0,
0
],
[
0,
2.640123025,
0
],
[
0,
0,
21.63077106403822
],
[
0,
0,
2.3628109359617797
]
] |
[
true,
true,
true
] |
Br4Ge
|
Br4Ge
|
A4B
|
[
"Br",
"Ge"
] |
[
0.8,
0.2
] |
[
32,
35,
35,
35,
35
] | 5
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_353"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/3658/MD_5385432609501937630013658.json
| null |
{"exfoliation_energy_per_atom": 0.14385430400000043, "material_id": "2dm-358", "source_id": "mp-341", "total_magnetization": 3e-06, "hash": "5385432609501937630013658505113866303970507264835569624245903351479104336148992720506110849448360172147701315592379198356740793315203110818292347101583942", "id": "MD_5385432609501937630013658"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_1017457951473845090060051
|
1017457951473845090060051637911547202151431657719150520451006242531233265886158343664898874610979730454716289401342789164622748030602059659229222893499094
| 2025-04-16T21:51:46
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -84.02737
|
[] |
[] | null | 3.8874
|
unknown
| null | null | null | null | null | null |
CO_1315815090133954239755651
|
13158150901339542397556517916282110658954821662823730805621192348326416779086957227241301674987906855973893506226761470604173619460186506413196967482132996
|
11119691240107953133329622032155513022894147480911467113380525981572446423221412223089019542857840862799217095722306098466846736949862765513298104362100717
|
[
[
5.73733452,
-1e-8,
0
],
[
-2.86866675,
4.96867765,
0
],
[
0,
0,
27.006738
]
] |
[
[
-0.0000025286670900679107,
3.31245341955922,
11.7314555694831
],
[
2.8686702986670904,
1.65622422044078,
15.2752824305169
],
[
0,
0,
13.503369
],
[
2.8686702986670904,
1.65622422044078,
16.9998003861807
],
[
-0.0000025286670900679107,
3.31245341955922,
10.0069376138193
],
[
1.4865998472448556,
0.7318036350949417,
14.690287858294619
],
[
0.10953954054623286,
1.6533350385728467,
12.31645014170538
],
[
-1.4916064433013774,
4.047146246522095,
12.31645014170538
],
[
1.3820679227551445,
4.236874004905059,
12.31645014170538
],
[
2.7591282294537676,
3.3153426014271536,
14.690287858294619
],
[
4.360274213301378,
0.9215313934779048,
14.690287858294619
]
] |
[
true,
true,
true
] |
NiO8Re2
|
NiO8Re2
|
A8B2C
|
[
"Ni",
"O",
"Re"
] |
[
0.09090909090909091,
0.7272727272727273,
0.18181818181818182
] |
[
75,
75,
28,
8,
8,
8,
8,
8,
8,
8,
8
] | 11
| 3
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_5001"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/2263/MD_1237242864132503778602263.json
| null |
{"exfoliation_energy_per_atom": 0.06808188090909084, "material_id": "2dm-5012", "source_id": "mp-32311", "total_magnetization": 2.0001152, "hash": "12372428641325037786022636400955716844503165545153405730112170599897202690101098736546788047552443474406614580105336353736494469995400228425973458884462756", "id": "MD_1237242864132503778602263"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_1056542041782310686824252
|
1056542041782310686824252046199681228040343414328610361075268651240511386467322191637359448389547767059369297005203050967038373326681277291731940703556116
| 2025-04-16T20:41:36
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -24.172299
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_3742006823966862293256054
|
3742006823966862293256054246019912595902347518330552206323670817239737310091541014791546595035228799070222873485254931991904419815629348573257177300612403
|
6929630730791568756722135450272431427916186896990820358636175743603762287158237864169795351695988967395498940803599227824226195187637401008031663252899822
|
[
[
3.214325,
0,
0
],
[
-1.607163,
2.783687,
0
],
[
0,
0,
26.166721
]
] |
[
[
-0.0000019404960000436664,
1.855792261229,
3.9272584880059997
],
[
1.6071639404960003,
0.9278947387709999,
1.826044624985
],
[
0,
0,
0.197113909293
],
[
0,
0,
5.556189203698
]
] |
[
true,
true,
true
] |
Cl2Ti2
|
ClTi
|
AB
|
[
"Cl",
"Ti"
] |
[
0.5,
0.5
] |
[
22,
22,
17,
17
] | 4
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_661"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/1631/MD_1158170733532762191161631.json
| null |
{"exfoliation_energy_per_atom": 0.04934850500000021, "material_id": "2dm-668", "source_id": "mp-504594", "total_magnetization": 1.17e-05, "hash": "11581707335327621911616318017210679869613193982412437627960353233339878769142304895871344309848873197573773022550461303187867733057718971375409120829308492", "id": "MD_1158170733532762191161631"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_1017501245440010338298406
|
10175012454400103382984062180282277144209873006230220533193435301295912417549635116546473531365821610671862796132261603242005269882093308101025843947104013
| 2025-04-16T18:08:08
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -9.807481
|
[] |
[] | null | 1.7686
|
unknown
| null | null | null | null | null | null |
CO_3029826403709500977798300
|
3029826403709500977798300297343895520477169330983855708360693853455155109081949442722416206733704096493666356379916298727482149381550480492509043027572518
|
1757757321565979077855001823324112197481730067463367420917314228810213697821160645012306917312902712788242773998496613890071482510118425317891882574383648
|
[
[
4.25570144,
-0.09214732,
0
],
[
-0.09214732,
4.25570144,
0
],
[
0,
0,
24.122461
]
] |
[
[
-0.04607366,
2.12785072,
12.0612305
],
[
2.12785072,
-0.04607366,
12.0612305
],
[
3.1687392500000002,
0.99481487,
14.28196645232412
],
[
0.99481487,
3.1687392500000002,
9.840494547675881
]
] |
[
true,
true,
true
] |
Au2I2
|
AuI
|
AB
|
[
"Au",
"I"
] |
[
0.5,
0.5
] |
[
79,
79,
53,
53
] | 4
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_3484"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/1508/MD_9873795580947526681201508.json
| null |
{"exfoliation_energy_per_atom": 0.08900379124999991, "material_id": "2dm-3495", "source_id": "mp-27725", "total_magnetization": 0.0, "hash": "9873795580947526681201508611264325648632210745153705203853102613737735824070028209417911227191675247553588735481149026357624192349880972286421495918954520", "id": "MD_9873795580947526681201508"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_1017699976476152363458520
|
10176999764761523634585209106266558734710573119192836991559968626469285173674120626502020625626710458915353734024772459410669054082336068840614372650765687
| 2025-04-16T18:45:21
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -198.931231
|
[] |
[] | null | 3.8654
|
unknown
| null | null | null | null | null | null |
CO_1045069408659581655109726
|
10450694086595816551097262581992097449254683968550110718791960193428057776815214512740301668617784436416976589627081212095128933544189506857352590522293522
|
1837431777056889345620261214726434455799596535664377025867862773144875358643235176038301425813489620705710029728072726795124697905477733468840885282836129
|
[
[
5.41721003,
0,
0
],
[
0,
12.07341507,
0
],
[
0,
0,
24.705102
]
] |
[
[
2.3260363879876707,
10.364975887783405,
12.30633862440288
],
[
0.38256862701232913,
4.328268352783404,
12.30633862440288
],
[
3.091173642012329,
1.7084391822165952,
12.398763375597118
],
[
5.0346414029876705,
7.745146717216595,
12.398763375597118
],
[
1.1239993573642026,
8.870350729014822,
10.43653174427778
],
[
1.5846056576357972,
2.8336431940148232,
10.43653174427778
],
[
4.293210672635797,
3.203064340985176,
14.26857025572222
],
[
3.8326043723642025,
9.239771875985177,
14.26857025572222
],
[
5.406945283746754,
9.932915690215179,
10.96524365577162
],
[
2.7188697612532446,
3.8962081552151786,
10.96524365577162
],
[
0.010264746253245199,
2.140499379784821,
13.739858344228379
],
[
2.6983402687467546,
8.17720691478482,
13.739858344228379
],
[
0.0488580339489712,
11.286039941426758,
13.700668393874759
],
[
2.6597469810510286,
5.249332406426757,
13.700668393874759
],
[
5.368351996051029,
0.7873751285732425,
11.00443360612524
],
[
2.757463048948971,
6.824082663573242,
11.00443360612524
],
[
1.4088956333635316,
11.892299355851915,
14.431945095248219
],
[
1.2997093816364682,
5.855591820851916,
14.431945095248219
],
[
4.008314396636468,
0.18111571414808397,
10.273156904751781
],
[
4.1175006483635315,
6.2178232491480845,
10.273156904751781
],
[
0.9153704103863353,
10.293352284627039,
14.741018273819218
],
[
1.7932346046136645,
4.256644749627041,
14.741018273819218
],
[
4.501839619613665,
1.7800627853729591,
9.96408372618078
],
[
3.6239754253863348,
7.816770320372959,
9.96408372618078
],
[
0.726491040186939,
9.283654031132748,
11.285356556222341
],
[
1.9821139748130607,
3.2469464961327494,
11.285356556222341
],
[
4.690718989813061,
2.7897610388672507,
13.41974544377766
],
[
3.4350960551869387,
8.82646857386725,
13.41974544377766
],
[
0.9928812599701831,
11.033164073797867,
14.0374216628286
],
[
1.7157237550298168,
4.996456538797868,
14.0374216628286
],
[
4.424328770029817,
1.040250996202132,
10.667680337171399
],
[
3.701486274970183,
7.0769585312021315,
10.667680337171399
],
[
1.64115645485997,
0.2593986508546077,
11.5297129907472
],
[
1.0674485601400299,
6.296106185854607,
11.5297129907472
],
[
3.7760535751400295,
11.814016419145393,
13.175389009252799
],
[
4.3497614698599705,
5.777308884145392,
13.175389009252799
],
[
3.587907261801893,
10.335847083648918,
10.60618736188524
],
[
4.537907783198106,
4.2991395486489195,
10.60618736188524
],
[
1.8293027681981067,
1.7375679863510802,
14.09891463811476
],
[
0.8793022468018932,
7.77427552135108,
14.09891463811476
]
] |
[
true,
true,
true
] |
H20F8In4N8
|
F2H5InN2
|
A5B2C2D
|
[
"F",
"H",
"In",
"N"
] |
[
0.2,
0.5,
0.1,
0.2
] |
[
49,
49,
49,
49,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
7,
7,
7,
7,
7,
7,
7,
7,
9,
9,
9,
9,
9,
9,
9,
9
] | 40
| 4
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_4219"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/3877/MD_1074481128661230143763877.json
| null |
{"material_id": "2dm-4230", "source_id": "mp-733932", "total_magnetization": 0.0, "hash": "10744811286612301437638779938412138955151983873555628683845528821772357428865345176833405361892962681160133234349146237700565704536058923723182378555313887", "id": "MD_1074481128661230143763877"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_1017541079715458276183759
|
10175410797154582761837591609753313278429857933373969813015564590369699784915640838212217700409056822651681572012686860496734057260773847308581317156375312
| 2025-04-16T18:14:58
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -13.923176
|
[] |
[] | null | 1.5931
|
unknown
| null | null | null | null | null | null |
CO_6679687011568888053458459
|
667968701156888805345845957692990277175908376838331386143272253430502397939981408890921658180969928415582187596319993469729544951451656311451443671756088
|
11675202138639865624156341742867214138029975979864926719899886377251995376120450916103616826123162203594859143624732344435658128633419935898704027098072095
|
[
[
3.95088054,
-0.02151521,
0
],
[
-1.22550128,
4.87078919,
0
],
[
0,
0,
23.424122
]
] |
[
[
0.760704644078123,
2.0967319771685866,
13.490700494739121
],
[
0.21132712624371472,
4.028142382144836,
9.93937943069158
],
[
2.26290267417842,
4.349712880473757,
12.001629293440342
],
[
2.7333326800405224,
1.37355742638408,
11.41653478112896
]
] |
[
true,
true,
true
] |
InS2Tl
|
InS2Tl
|
A2BC
|
[
"In",
"S",
"Tl"
] |
[
0.25,
0.5,
0.25
] |
[
81,
49,
16,
16
] | 4
| 3
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_3838"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/4883/MD_6226785463598439314914883.json
| null |
{"exfoliation_energy_per_atom": 0.10880312999999964, "material_id": "2dm-3849", "source_id": "mp-632539", "total_magnetization": 0.0, "hash": "6226785463598439314914883940493340718979726924059678669903767968430640112903563963530306954473242727524179161923033447270921466948365184758607339880179472", "id": "MD_6226785463598439314914883"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_1056691804762890215326800
|
10566918047628902153268000798615325093669460139439633357343681222094336543250525513050399863236309190014526778099685005162253952294979201712227024805126787
| 2025-04-16T21:14:40
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -6.309769
|
[] |
[] | null | 2.339
|
unknown
| null | null | null | null | null | null |
CO_5389207597690231049032903
|
538920759769023104903290375521448835860180074993163995104768328806433431159580770862949910105812139682243453269798688722852754595102979339719070694716718
|
10444259117510127922944405570981452026776090150732523408671815031849098127854427071750233251932792444629714152082502078067190057383875310315441422188540569
|
[
[
4.36912526,
0,
0
],
[
0,
4.36912526,
0
],
[
0,
0,
22.485028
]
] |
[
[
2.18456263,
2.18456263,
12.282471728231359
],
[
2.18456263,
2.18456263,
10.20255627176864
]
] |
[
true,
true,
true
] |
FTl
|
FTl
|
AB
|
[
"F",
"Tl"
] |
[
0.5,
0.5
] |
[
81,
9
] | 2
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_3764"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/8616/MD_7653240721937300521048616.json
| null |
{"exfoliation_energy_per_atom": 0.9217709700000003, "material_id": "2dm-3775", "source_id": "mp-557835", "total_magnetization": -0.0, "hash": "7653240721937300521048616770805376921575894185121279856126676799086671844097107954041681561655492211352413458277274250717463532379940334684127433554508758", "id": "MD_7653240721937300521048616"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_1056682399130365298270708
|
10566823991303652982707087195472788864337177647781009054490155953174102130907167258880117586102561288763780379328646558002999366549773866008683893965601765
| 2025-04-16T16:26:41
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -102.992016
|
[] |
[] | null | 0.9681
|
unknown
| null | null | null | null | null | null |
CO_1246536301927065622521311
|
12465363019270656225213118135083031896762364248558632604614406811685958136475892258175096267755020420084482920832369626769490230165832784396067915547171822
|
7570044845247123618929304904740674906121554550879301798915135587656001914546011808870108645077859537793276046898156466098528995830743601536791228868884689
|
[
[
5.95272472,
0,
0
],
[
0,
10.62874114,
0
],
[
0,
0,
23.750879
]
] |
[
[
1.48818118,
9.749446217820434,
11.8754395
],
[
4.46454354,
0.8792949221795657,
11.8754395
],
[
1.48818118,
5.96108695340444,
11.8754395
],
[
4.46454354,
4.66765418659556,
11.8754395
],
[
1.5226782912428496,
2.6100755156451783,
10.76143705920923
],
[
4.430046428757151,
8.018665624354822,
12.98944194079077
],
[
4.49904065124285,
8.018665624354822,
10.76143705920923
],
[
1.4536840687571504,
2.6100755156451783,
12.98944194079077
],
[
0.4708164156618248,
0.7895144772070426,
10.416235846103481
],
[
2.4399978137201312,
8.159118486424884,
13.44078250702446
],
[
3.512726906279869,
2.4696226535751165,
10.31009649297554
],
[
2.353579073070284,
4.193953833204389,
13.763752659877419
],
[
5.481908304338175,
9.839226662792958,
13.33464315389652
],
[
5.416360173720131,
2.4696226535751165,
13.44078250702446
],
[
3.5991456469297156,
6.434787306795612,
9.98712634012258
],
[
3.447178775661825,
9.839226662792958,
10.416235846103481
],
[
2.505545944338175,
0.7895144772070426,
13.33464315389652
],
[
0.622783286929716,
4.193953833204389,
9.98712634012258
],
[
5.329941433070284,
6.434787306795612,
13.763752659877419
],
[
0.5363645462798687,
8.159118486424884,
10.31009649297554
]
] |
[
true,
true,
true
] |
Ag2Cr2P4S12
|
AgCrP2S6
|
A6B2CD
|
[
"Ag",
"Cr",
"P",
"S"
] |
[
0.1,
0.1,
0.2,
0.6
] |
[
24,
24,
47,
47,
15,
15,
15,
15,
16,
16,
16,
16,
16,
16,
16,
16,
16,
16,
16,
16
] | 20
| 4
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_5747"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/2652/MD_3501146409068103905182652.json
| null |
{"exfoliation_energy_per_atom": 0.06499275100000013, "material_id": "2dm-5758", "source_id": "mp-557592", "total_magnetization": 6.0070623, "hash": "3501146409068103905182652035500670397873154421089932782553890773515978135755565157431425122568970385222769899166531511867252539565231300295384600258731027", "id": "MD_3501146409068103905182652"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_1056476101764665070707998
|
10564761017646650707079980414397760860849816632064975672297020769732750655888614253099203957443742124569709995174466525792941888662529360403600065460108328
| 2025-04-17T18:06:06
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -52.751633
|
[] |
[] | null | 1.3332
|
unknown
| null | null | null | null | null | null |
CO_1049987174630241312555390
|
10499871746302413125553909137712444821427191552720974573383048191132640126868999638347723635110317014962063580427034662729358720265471876613223997542750896
|
6241334899442078741022776833856386754643992581096871912253230630626457695684700712250286279285385479561088996018485248257108714713738426682026192195918753
|
[
[
5.50058476,
0,
0
],
[
0,
5.50058476,
0
],
[
0,
0,
30.313274
]
] |
[
[
0,
2.75029238,
15.156637
],
[
2.75029238,
0,
15.156637
],
[
0,
0,
18.35258578771358
],
[
0,
0,
11.96068821228642
],
[
3.8462381285647966,
4.591484414726616,
13.80845747331014
],
[
4.591484414726616,
1.6543466314352033,
13.80845747331014
],
[
0,
0,
9.97569257866114
],
[
0,
0,
20.33758142133886
],
[
4.620581628013454,
3.754478693738819,
11.5601383098981
],
[
3.754478693738819,
0.8800031319865456,
11.5601383098981
],
[
1.7461060662611807,
4.620581628013454,
11.5601383098981
],
[
0.8800031319865456,
1.7461060662611807,
11.5601383098981
],
[
0.8800031319865456,
1.7461060662611807,
18.7531356901019
],
[
1.7461060662611807,
4.620581628013454,
18.7531356901019
],
[
3.754478693738819,
0.8800031319865456,
18.7531356901019
],
[
4.620581628013454,
3.754478693738819,
18.7531356901019
],
[
0.9091058458581439,
3.8462381285647966,
13.80845747331014
],
[
1.6543466314352033,
0.9091058458581439,
13.80845747331014
],
[
3.8462381285647966,
4.591484414726616,
16.50481652668986
],
[
4.591484414726616,
1.6543466314352033,
16.50481652668986
],
[
0.9091058458581439,
3.8462381285647966,
16.50481652668986
],
[
1.6543466314352033,
0.9091058458581439,
16.50481652668986
]
] |
[
true,
true,
true
] |
Ag2F18Xe2
|
AgF9Xe
|
A9BC
|
[
"Ag",
"F",
"Xe"
] |
[
0.09090909090909091,
0.8181818181818182,
0.09090909090909091
] |
[
47,
47,
54,
54,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9
] | 22
| 3
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_3570"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/2629/MD_1322960823452432152082629.json
| null |
{"material_id": "2dm-3581", "source_id": "mp-28586", "total_magnetization": 0.0, "hash": "13229608234524321520826294559533325887442783409701555711803286570438178061128844156430225534851643661943555725887798015767486382105640212908855960615211075", "id": "MD_1322960823452432152082629"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_1056380559458385273838128
|
10563805594583852738381282476331851306926661684964113165979044900985660775114926529618449911480538009732430175789483891693872309794950297698097697167510166
| 2025-04-16T18:26:59
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -19.722304
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_8846349144545390617637603
|
8846349144545390617637603325996652619648585568174928782796364957950004841372593745836784377851687915950069081786796518940541548101530233521917767911651651
|
12261529937137677684564868691923385360831043118676666493751008709029688537228471241580048216741413937666011037351022549317509993404278465942548881914003910
|
[
[
4.88503599,
0,
0
],
[
0,
4.88503599,
0
],
[
0,
0,
23.559787
]
] |
[
[
2.442517995,
2.442517995,
13.39506108474644
],
[
0,
0,
11.11324270427569
],
[
0,
2.442517995,
10.40957359322763
],
[
0,
0,
13.572016524522612
],
[
2.442517995,
0,
10.40957359322763
]
] |
[
true,
true,
true
] |
BaNiSn3
|
BaNiSn3
|
A3BC
|
[
"Ba",
"Ni",
"Sn"
] |
[
0.2,
0.2,
0.6
] |
[
56,
28,
50,
50,
50
] | 5
| 3
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_5857"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/1239/MD_9362974951888446987941239.json
| null |
{"material_id": "2dm-5868", "source_id": "mp-11879", "total_magnetization": -0.0001341, "hash": "9362974951888446987941239352866433891422034745371322570247793510670579900767123136264213025973212309854104629669646333949750788193193559400549616270508940", "id": "MD_9362974951888446987941239"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_1056971939989795605753990
|
10569719399897956057539907017235918680694971339712086536328570013496162411597360726061042086718732015224807303711629535270406993462080004650874670073283965
| 2025-04-16T18:28:12
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -123.712777
|
[] |
[] | null | 2.9603
|
unknown
| null | null | null | null | null | null |
CO_8831706249047490866603310
|
8831706249047490866603310676881764972470507546983742685632777113965661072067010334400031443005362886061576770780411412014990862134934734368960941418239876
|
6374064725759766411447997315253256113633547918023911674721067964410768580865153136011042422472794253462210635847825241688703279395311416430365102077416614
|
[
[
4.05779635,
0,
0
],
[
0,
5.27844469,
0
],
[
0,
0,
27.462976
]
] |
[
[
2.985186583369706,
5.251704300338247,
14.3877885884064
],
[
0.9562884083697055,
3.985061898026822,
13.075187411593602
],
[
2.239163970659286,
0.1456262715701534,
10.720543431775999
],
[
0.21026579565928552,
3.8126952367949167,
16.742432568224
],
[
3.867255258930284,
2.7006730479609358,
11.04275609325312
],
[
3.2821338478967497,
2.4334968634473384,
14.38547373415936
],
[
1.2532356728967495,
1.5248246449177314,
13.077502265840641
],
[
1.8383570839302834,
1.257643181959444,
16.420219906746883
],
[
2.0426899349682706,
5.16840205040299,
16.2298045387616
],
[
1.9638726783166296,
0.251864155450164,
12.835245587319681
],
[
3.99277085331663,
3.706457352914906,
14.627730412680322
],
[
0.013791759968270501,
4.06836414796208,
11.2331714612384
],
[
2.249869695347454,
2.577956229249873,
13.358935154255361
],
[
2.6329092772902003,
2.1825483070131018,
15.746821418742401
],
[
2.9476145948278223,
2.1945452616734276,
10.1730264376032
],
[
0.918716419827822,
1.7637762466916422,
17.2899495623968
],
[
0.6040111022902,
1.775773201351968,
11.7161545812576
],
[
0.22097152034745401,
1.3803652791151964,
14.104040845744642
]
] |
[
true,
true,
true
] |
B4Bi2Li2O10
|
B2BiLiO5
|
A5B2CD
|
[
"B",
"Bi",
"Li",
"O"
] |
[
0.2222222222222222,
0.1111111111111111,
0.1111111111111111,
0.5555555555555556
] |
[
3,
3,
83,
83,
5,
5,
5,
5,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 18
| 4
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_5266"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/9634/MD_8658695612924836249449634.json
| null |
{"exfoliation_energy_per_atom": 0.07786001333333292, "material_id": "2dm-5277", "source_id": "mp-768812", "total_magnetization": 0.0, "hash": "8658695612924836249449634623558013790584547886436346305806810578179965935110331235807168765931826882545063994434140254178600149682458748315845508517026852", "id": "MD_8658695612924836249449634"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_1057049022290230403097524
|
1057049022290230403097524419885266056176656291740293782301889478048624533065192507257339698741060887509471152802733189104823877232499359772692116917296815
| 2025-04-16T18:58:19
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -42.454795
|
[] |
[] | null | 2.0327
|
unknown
| null | null | null | null | null | null |
CO_9564449013622605603810332
|
9564449013622605603810332356166167787836468466288919697736872733371025219483750435543227863211881931825749198402990379273145672803358912500971465402867022
|
11603715830024412854223511155055545778549030902931815858926134797035189140009451143843669150452354729828999081753163839104622418007012253198572753513276113
|
[
[
3.78187403,
0,
0
],
[
0,
6.22056311,
0
],
[
0,
0,
27.260366
]
] |
[
[
1.890937015,
3.1265859619394654,
12.00610744062296
],
[
0,
0.0163044069394655,
15.254258559377039
],
[
0,
0.3527969351752993,
10.98053648801984
],
[
1.890937015,
3.463078490175299,
16.27982951198016
],
[
0,
4.331830266225466,
10.74698711876608
],
[
1.890937015,
1.2215487112254657,
16.513378881233923
],
[
0,
4.408566572899746,
17.25828255757424
],
[
1.890937015,
1.2982850178997458,
10.00208344242576
],
[
0,
1.502160428109023,
13.043278224166402
],
[
1.890937015,
4.612441983109023,
14.217087775833601
]
] |
[
true,
true,
true
] |
Ga2In2S6
|
GaInS3
|
A3BC
|
[
"Ga",
"In",
"S"
] |
[
0.2,
0.2,
0.6
] |
[
49,
49,
31,
31,
16,
16,
16,
16,
16,
16
] | 10
| 3
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_3749"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/2701/MD_2931797079974563723702701.json
| null |
{"exfoliation_energy_per_atom": 0.0475635840000006, "material_id": "2dm-3760", "source_id": "mp-19885", "total_magnetization": 0.0, "hash": "2931797079974563723702701485598505251086018236828034529752552697629549108179704208096646970793297469791305708940437452216691828472751891062308847683363441", "id": "MD_2931797079974563723702701"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_1017955425318066011742704
|
101795542531806601174270415514250012406161149272717153136791834045196157639695607506002555671841331358042600483801738070474935542310259710125910036164215
| 2025-04-16T21:51:46
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -9.293807
|
[] |
[] | null | 1.0557
|
unknown
| null | null | null | null | null | null |
CO_3609304091565944659840055
|
3609304091565944659840055575023925362456437644321499674807901412474007252095808535570534920189313868267303249299783067966501174681756073848553399717259202
|
8203035664394487486113506811143050145449203547932273807818864608653282271329374129546540004967474032374241190653424969352695694198088786955386216354532218
|
[
[
4.367301,
0,
0
],
[
-2.183651,
3.782193,
0
],
[
0,
0,
23.814717
]
] |
[
[
0,
0,
6.302064744993
],
[
-0.0000025169839999035956,
2.521463260731,
4.971988985826
],
[
-0.0000025169839999035956,
2.521463260731,
7.8799088198280005
],
[
0,
0,
3.3938353196700004
]
] |
[
true,
true,
true
] |
Au2I2
|
AuI
|
AB
|
[
"Au",
"I"
] |
[
0.5,
0.5
] |
[
79,
79,
53,
53
] | 4
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_1756"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/0693/MD_1159425547253103843750693.json
| null |
{"exfoliation_energy_per_atom": 0.08238689583333336, "material_id": "2dm-1766", "source_id": "mp-570136", "total_magnetization": -0.0, "hash": "11594255472531038437506933757424554051762182734263132422462499506381877626038485374704897060035038866842879188410897281055090762314550241990295962188732826", "id": "MD_1159425547253103843750693"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_1057854280252193765853511
|
10578542802521937658535117671734606932784185439954392929751339200883383380517592254899009868877473799556764639866906013963370468129081446258095776940654021
| 2025-04-16T18:29:46
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -63.891747
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_3525162289120952013939211
|
3525162289120952013939211221933609773513049840300189755818711753441999948428318422952640898616029499592261074736041176573855703419021266875086100571040939
|
1543323696068177751329250449931499954958952411952960394880926925098395579187458356743728349580017070273169024926776295868393646560485069328793387779663318
|
[
[
3.73804538,
0,
0.00049916
],
[
0,
6.52067995,
0
],
[
0.00277331,
0,
20.76671381
]
] |
[
[
2.874494912832017,
4.4460994107741,
10.371445009902539
],
[
0.8663237771679828,
1.1857594357741008,
10.39576796009746
],
[
1.7045318073915356,
5.1887568648746685,
10.35126779808472
],
[
2.036286882608464,
1.928416889874669,
10.415945171915277
],
[
0.9768516838292972,
6.318298649700642,
10.441670926132364
],
[
2.7639670061707027,
3.0579586747006418,
10.325542043867635
],
[
0.31399525242191023,
5.0841757219781885,
10.786551163887882
],
[
3.42682343757809,
1.8238357469781878,
9.980661806112117
]
] |
[
true,
true,
true
] |
C6N2
|
C3N
|
A3B
|
[
"C",
"N"
] |
[
0.75,
0.25
] |
[
6,
6,
6,
6,
6,
6,
7,
7
] | 8
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_5475"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/1747/MD_2975766708638967438451747.json
| null |
{"exfoliation_energy_per_atom": 0.07076715937499944, "material_id": "2dm-5486", "source_id": "mp-1096864", "total_magnetization": -9e-07, "hash": "2975766708638967438451747477761811260118630665902531362144441667324715189731266569184108073691452354997006866163242580918388402136288986570559486606084751", "id": "MD_2975766708638967438451747"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4600515900676915538587892
|
4600515900676915538587892835200631445784451525539857924997379683311909660848447063237592393181805980253926104062549207181250701682615378629761744634151556
| 2025-04-16T19:57:28
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -16.696378
|
[] |
[] | null | 2.0091
|
unknown
| null | null | null | null | null | null |
CO_3904220354549858932861088
|
3904220354549858932861088458943111439383416789047578166413628366647246841425568124137009011742056464006900068874595134799841959102425489749818733389093478
|
9295442278445651082740002686103047362938487288427071356793985772704560191482584818533575492351992868983366965078493146848903709261069616007364732866856989
|
[
[
3.916455,
0,
0
],
[
-1.958228,
3.391749,
0
],
[
0,
0,
24.623946
]
] |
[
[
0,
0,
7.028043547589999
],
[
1.958229291561,
1.130581869417,
7.028043547589999
],
[
0,
0,
8.860089753936
],
[
0,
0,
5.195997341244
]
] |
[
true,
true,
true
] |
AsF3
|
AsF3
|
A3B
|
[
"As",
"F"
] |
[
0.25,
0.75
] |
[
33,
9,
9,
9
] | 4
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_2480"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/3481/MD_1118361574965045795983481.json
| null |
{"exfoliation_energy_per_atom": 0.20208733624999997, "material_id": "2dm-2491", "source_id": "mp-685136", "total_magnetization": -0.0, "hash": "11183615749650457959834818883495655373952020097262928743653226679057110586545791002680490628638485245153635939139646727834260218066128903546304428102254374", "id": "MD_1118361574965045795983481"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4593373427872595104187411
|
4593373427872595104187411806103900004226408366139929496070275794320220881568745505929934937054855615941667847817774985292267204127511696702066953365043021
| 2025-04-16T16:06:20
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -41.785184
|
[] |
[] | null | 1.9385
|
unknown
| null | null | null | null | null | null |
CO_6539246037040156653859916
|
6539246037040156653859916466722845300079084653915386901276697018272909561917000517817426524184635471737540322435479122287378056529356109380199753322316580
|
9367681739373430447152914282075976809323277515750534212725790994140891835240890893962555421393926969789350797487515246258056678736760279007512450228773953
|
[
[
7.15703839,
0,
0
],
[
0,
19.27486481,
-0.063713
],
[
0,
0,
24.151076
]
] |
[
[
0.0542784065866888,
12.56661337156765,
11.996291544308331
],
[
7.1027599834133115,
2.9291809665676496,
12.028148044308331
],
[
2.939876619752808,
9.674534014026824,
12.091626505809728
],
[
4.217161770247192,
0.0371016090268247,
12.123483005809728
],
[
4.537037943057165,
8.831659403028725,
14.202766057684741
],
[
4.504686554985919,
8.752902305415065,
9.98656079281542
],
[
6.0103865817264035,
17.155343236395264,
12.07916577242946
],
[
1.1466518082735964,
7.517910831395267,
12.11102227242946
],
[
6.272507029277522,
1.543168613777724,
10.006197984104851
],
[
2.6523518350140813,
18.390334710415065,
9.95470429281542
],
[
6.241695263304734,
1.7144207761497234,
14.146620805648109
],
[
0.9153431266952669,
11.351853181149723,
14.114764305648109
],
[
2.472898473105122,
3.186815170323497,
12.0540500312748
],
[
4.684139916894878,
12.824247575323497,
12.0221935312748
],
[
5.939102336221237,
5.207402139585518,
11.88974536775245
],
[
1.2179360537787642,
14.844834544585519,
11.85788886775245
],
[
2.6200004469428353,
18.469091808028725,
14.170909557684741
],
[
0.8845313607224778,
11.180601018777724,
9.974341484104851
]
] |
[
true,
true,
true
] |
Al2I14Te2
|
AlI7Te
|
A7BC
|
[
"Al",
"I",
"Te"
] |
[
0.1111111111111111,
0.7777777777777778,
0.1111111111111111
] |
[
13,
13,
52,
52,
53,
53,
53,
53,
53,
53,
53,
53,
53,
53,
53,
53,
53,
53
] | 18
| 3
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_5599"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/2657/MD_1104745897073599356252657.json
| null |
{"exfoliation_energy_per_atom": 0.11115056388888878, "material_id": "2dm-5610", "source_id": "mp-29407", "total_magnetization": 0.0, "hash": "11047458970735993562526573732313643555341173145451179585363300859701390305444186492774968339018758754206414886715031054721642013680009797730977370159560784", "id": "MD_1104745897073599356252657"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4591834825509871198113190
|
4591834825509871198113190733652561377210119054264358081128341120322024207856384792013756186931792539149746424085798499256028503808589500544064919220444181
| 2025-04-17T18:16:17
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -8.748996
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_8390859956882031068346218
|
8390859956882031068346218615532374111617969355390098300523334124992125481057051356444951823771740662499511761543398818408261088357219074932095391740397714
|
5749035957454498748924287767707131589659515827657184622542621420609666055663290097115833759363856070489199104271124629417069053397360453707717367210839026
|
[
[
3.75239474,
0,
0
],
[
-1.87619737,
3.23856758,
-0.08801403
],
[
0,
-0.11759469,
23.00938872
]
] |
[
[
0,
-0.02653735850292,
5.19248273366496
],
[
1.8761954750406564,
1.0702186492875274,
6.655919777342944
],
[
0.0000018949593436612762,
2.1152742137066327,
3.6410316599869756
]
] |
[
true,
true,
true
] |
AgSe2
|
AgSe2
|
A2B
|
[
"Ag",
"Se"
] |
[
0.3333333333333333,
0.6666666666666666
] |
[
47,
34,
34
] | 3
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_199"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/9108/MD_3913055101834560029739108.json
| null |
{"exfoliation_energy_per_atom": 0.38050566333333347, "material_id": "2dm-203", "source_id": "mp-1662", "total_magnetization": 2.27e-05, "hash": "3913055101834560029739108469636258983343134449766065923811447370321092104681658857975828087717830292992386262149892011456668787109977902293396317978478569", "id": "MD_3913055101834560029739108"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4602514068163478494091867
|
4602514068163478494091867253835217560896490954256822812611962579252941830524708940573271767374626125760289057980493863354266023816427651436724735713653752
| 2025-04-16T21:13:40
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -181.96574
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_7991377369736440652951134
|
7991377369736440652951134419888985248391538949457963978209531040348723898180922145329298261533739785023750949126049568028826547747788818790320496165970027
|
5986594194947163432890472045196927587156890281175224318386482469184595553803947779612397764947976842381270648294579643759924206069972822296694188844811777
|
[
[
10.13935594,
0.00005324,
-0.00000896
],
[
0.00005846,
10.16981941,
-2.65168597
],
[
-0.00002043,
0.04840217,
24.47919645
]
] |
[
[
-2.849248866999987e-7,
6.586657499200746,
22.773954725993413
],
[
5.0694939576440605,
8.71655924245055,
-2.2720726655385572
],
[
0.0000530169764351,
3.6315606105532887,
-0.9464497090242528
],
[
5.069917857637838,
1.501719561297503,
24.09958196387598
],
[
2.488984839167328,
5.0873153002696565,
22.97563668864887
],
[
7.558664155231587,
0.046289225580496106,
0.1776899227813587
],
[
7.650398180325531,
5.13095828913006,
-1.148139991068128
],
[
2.5807180531309544,
10.171988134876512,
21.649809955139684
],
[
9.166330160246284,
4.676810174545856,
21.40583451548089
],
[
4.096732785179071,
0.45703588329206946,
1.7474292100403654
],
[
0.9730658376206295,
5.541463109343404,
0.4216620168469944
],
[
6.042661387620584,
9.761240865586531,
20.080070092595367
],
[
3.3520309624044597,
1.1704199159817346,
22.234236776403876
],
[
8.421863659628775,
3.9632344786705214,
0.9191925367727622
],
[
6.787363615995555,
9.047863574505131,
-0.40672429157140283
],
[
1.7175267616259144,
6.255043055216654,
20.908292111005505
],
[
1.7160920147777046,
3.057578639415092,
21.74196844472401
],
[
6.785747271643065,
2.0755025631095876,
1.411595019241859
],
[
8.423296175753814,
7.160687502810566,
0.08551843856862261
],
[
3.3536487262487427,
8.142777465289935,
20.415916164034908
],
[
6.260897480061966,
3.1264636905531367,
22.341229259827458
],
[
1.1909051389989684,
2.0069554100867646,
0.8121309689320884
],
[
3.8784988220062457,
7.091814801726596,
-0.5137230642212837
],
[
8.948485485001465,
8.211316655332036,
21.01536686077072
],
[
4.555018995222943,
4.667040188002522,
21.362459513047025
],
[
9.624715337876586,
0.46662096666935327,
1.7907764547587404
],
[
5.584374366409054,
5.551232070662585,
0.4650331229883918
],
[
0.5146699122526343,
9.751649272993953,
20.036724300171937
],
[
6.260260488763318,
6.489411613006851,
21.467086981274907
],
[
1.1910017599605902,
8.813828072757138,
-0.9654343370894106
],
[
3.879139057871557,
3.728862717408308,
0.36042421819108
],
[
8.948391398874735,
1.4044432807876135,
22.792932352408
]
] |
[
true,
true,
true
] |
Mo8Se24
|
MoSe3
|
A3B
|
[
"Mo",
"Se"
] |
[
0.25,
0.75
] |
[
42,
42,
42,
42,
42,
42,
42,
42,
34,
34,
34,
34,
34,
34,
34,
34,
34,
34,
34,
34,
34,
34,
34,
34,
34,
34,
34,
34,
34,
34,
34,
34
] | 32
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_2000"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/2830/MD_6526794888766848434792830.json
| null |
{"exfoliation_energy_per_atom": 0.0854390956250004, "material_id": "2dm-2007", "source_id": "mp-540922", "total_magnetization": 4.1e-05, "hash": "6526794888766848434792830704106335722013660114703774311112891636229016406640847106152274407389619141076153060969028046995274377339179253780628162411378554", "id": "MD_6526794888766848434792830"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4601420885426292059528382
|
4601420885426292059528382682781837235256957326696113217325154601176121954306008931871928958671239784975388979913984100832829005768493157740764220064633022
| 2025-04-16T21:13:40
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -20.100728
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_4939505533489963538472308
|
4939505533489963538472308839029730599703526434672778385831540911419989714736594419296191211403290145948248253937138933942487882367503659844703943315517985
|
1570534991291803170465095944476747242155396653231438016380588005072453522893217052178930742317260875150855508428104221774829568771123035883384548932304244
|
[
[
3.78667673,
-3e-8,
0
],
[
-1.89333791,
3.27935824,
0
],
[
0,
0,
23.44590518
]
] |
[
[
1.89334041000488,
1.09311830021391,
20.976244590948756
],
[
-0.0000015900048802184785,
2.18623990978609,
19.351814276194705
],
[
0,
0,
22.115243616625484
],
[
0,
0,
18.212815250517977
]
] |
[
true,
true,
true
] |
Pt2Se2
|
PtSe
|
AB
|
[
"Pt",
"Se"
] |
[
0.5,
0.5
] |
[
78,
78,
34,
34
] | 4
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_6350"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/3872/MD_7104843862496483616133872.json
| null |
{"exfoliation_energy_per_atom": 0.12698862500000008, "material_id": "2dm-6460", "source_id": "mp-11693", "total_magnetization": 2.4e-06, "hash": "7104843862496483616133872898187639789109504259588869261215736310634361567675347298663046553587803350448960252393523079462677172577553244137612852398207378", "id": "MD_7104843862496483616133872"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4607028595932455606046260
|
4607028595932455606046260972154566318356827712545226073193198920628862914723751615638433442169825968603680881005938048776681356482755191713773675612557237
| 2025-04-16T21:13:40
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -38.27932
|
[] |
[] | null | 3.8934
|
unknown
| null | null | null | null | null | null |
CO_4397645134657201848153907
|
439764513465720184815390759425115743184954311243107463430764208321726702505198792665337756685193861354023376618195102829016418223152596093846132227255495
|
2502206587733821605607785764553690840688218496307851953846732307081491081380781402923377818943331982661637166968192718423565134650311212138718606544908335
|
[
[
3.77236959,
0,
0
],
[
0,
8.47046097,
0
],
[
0,
0,
23.944354
]
] |
[
[
1.886184795,
4.235230485,
12.09495981621536
],
[
0,
0,
11.849394183784641
],
[
0,
4.235230485,
13.9502835364781
],
[
1.886184795,
0,
9.9940704635219
],
[
1.886184795,
1.544721798230558,
13.190474112043901
],
[
0,
2.6905086867694417,
10.7538798879561
],
[
0,
5.779952283230558,
10.7538798879561
],
[
1.886184795,
6.925739171769441,
13.190474112043901
]
] |
[
true,
true,
true
] |
Cl6Dy2
|
Cl3Dy
|
A3B
|
[
"Cl",
"Dy"
] |
[
0.75,
0.25
] |
[
66,
66,
17,
17,
17,
17,
17,
17
] | 8
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_3428"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/6756/MD_7976963327125797262966756.json
| null |
{"exfoliation_energy_per_atom": 0.08131862875000007, "material_id": "2dm-3439", "source_id": "mp-28448", "total_magnetization": -0.0, "hash": "7976963327125797262966756973630308562769273614003994432277175730795337104313403046338772490538806623106859654822011964395389637039379747085738474079658798", "id": "MD_7976963327125797262966756"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4610261076574094153307746
|
4610261076574094153307746415270354391288788302796617274834407400503174629380196223201637171319180839751591241296586348947818937970283333475229936397792340
| 2025-04-16T17:54:28
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -17.921066
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_1096064576743772421414612
|
10960645767437724214146124483280639841079630738744621503654878395370347580038434652669702591700697074554576204708482700727106258145903406443321808383357062
|
1242224145406397759165102909519946376760307056700150136218502337643050817455233141801622598581656128378459680660105511716240885553791437849256846043292607
|
[
[
3.36153162,
6.8e-7,
-9e-7
],
[
-1.68076472,
2.91117159,
8.2e-7
],
[
-0.00000587,
0.00000282,
21.950498
]
] |
[
[
-3.3604706600000005e-8,
1.1644179439999999e-7,
-0.0000395108963762
],
[
1.680759970293978,
0.9703940222741732,
19.424807082949712
],
[
0.0000010933107284563355,
1.9407809512840324,
2.5257303479466637
]
] |
[
true,
true,
true
] |
Bi2Hf
|
Bi2Hf
|
A2B
|
[
"Bi",
"Hf"
] |
[
0.6666666666666666,
0.3333333333333333
] |
[
72,
83,
83
] | 3
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_2721"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/3538/MD_4197464743702778058213538.json
| null |
{"exfoliation_energy_per_atom": 0.13500400666666668, "material_id": "2dm-2732", "source_id": "mp-1008600", "total_magnetization": 3.5e-06, "hash": "4197464743702778058213538318407596319901065106513789486338092213480728659410084306135587612259887933798861425444819750848819725896791457315276440591349328", "id": "MD_4197464743702778058213538"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4613066505666133025213860
|
4613066505666133025213860000514571829571318229493197443903050825994110611094646402849300206397169546917830337974326429997652760500370968996072953112821223
| 2025-04-16T18:59:11
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -37.522335
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_1885121607368695855763937
|
1885121607368695855763937232744254671705391853708760750275206795246247841083595171986489930830022199119695010305562419644398330997502447390768955766595381
|
10074756380292443680086585330497257877344397778123541905677970512577800140031817227198575176959760357314361101558467456014493362294971734284997982108096286
|
[
[
5.22267755,
-4e-8,
0
],
[
-2.61133835,
5.78745445,
0
],
[
0,
0,
24.409286
]
] |
[
[
2.6113390058926145,
3.1441893556289586,
9.9363576184851
],
[
1.9410738558513915e-7,
2.643265054371042,
14.4729283815149
],
[
3.9242467935843,
-3.005544e-8,
12.204643
],
[
-1.3129075935843,
5.78745444005544,
12.204643
],
[
0.0000026507950354985483,
0.5372971991104718,
10.4139960860045
],
[
2.6113365492049647,
5.250157210889529,
13.995289913995501
],
[
2.934419556162853e-7,
3.995957518367854,
11.69747369009208
],
[
2.611338906558045,
1.791496891632146,
12.711812309907922
]
] |
[
true,
true,
true
] |
Fe2Se4Tl2
|
FeSe2Tl
|
A2BC
|
[
"Fe",
"Se",
"Tl"
] |
[
0.25,
0.5,
0.25
] |
[
81,
81,
26,
26,
34,
34,
34,
34
] | 8
| 3
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_4113"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/5175/MD_1217406291418790928385175.json
| null |
{"material_id": "2dm-4124", "source_id": "mp-9810", "total_magnetization": 2.0000838, "hash": "12174062914187909283851750706005971569726800679801160052549676919511313379907201355009161509648810456336348614731905518290407158821620260590287661839618405", "id": "MD_1217406291418790928385175"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4613998392941699349413526
|
4613998392941699349413526186369593107905612993069686802457399480480932316546776986709527243963726395020907361191221995168259299602913796952955464945648446
| 2025-04-16T16:05:18
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -102.76351
|
[] |
[] | null | 2.4328
|
unknown
| null | null | null | null | null | null |
CO_3259809875840540659183409
|
3259809875840540659183409459995038761211736824159454806807564944857922248792701798556867299916227004188967888495832833714241504712043382708021411733265679
|
11444944308049011405162757029172908506580526151502779016704937855773727801856634638935040497279808984175937070828245609722485079741911086715318929548537478
|
[
[
3.96317644,
0,
0
],
[
0,
11.7945852,
0
],
[
0,
0,
24.454822
]
] |
[
[
0,
4.098692780832612,
11.6084032090894
],
[
1.98158822,
1.798599819167388,
12.8464187909106
],
[
1.98158822,
9.995985380832613,
12.8464187909106
],
[
0,
7.6958924191673885,
11.6084032090894
],
[
0,
5.8972926,
12.39579907874896
],
[
0,
4.14061946462646,
9.8832255636884
],
[
1.98158822,
3.7585664301276123,
12.12538768354998
],
[
0,
2.1387261698723883,
12.329434316450019
],
[
1.98158822,
1.7566731353735399,
14.5715964363116
],
[
1.98158822,
0,
12.05902292125104
],
[
1.98158822,
10.03791206462646,
14.5715964363116
],
[
0,
7.65396573537354,
9.8832255636884
],
[
0,
9.655859030127612,
12.329434316450019
],
[
1.98158822,
8.036018769872388,
12.12538768354998
]
] |
[
true,
true,
true
] |
O10W4
|
O5W2
|
A5B2
|
[
"O",
"W"
] |
[
0.7142857142857143,
0.2857142857142857
] |
[
74,
74,
74,
74,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 14
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_4234"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/2565/MD_8505595260971780115902565.json
| null |
{"exfoliation_energy_per_atom": 0.2004570578571423, "material_id": "2dm-4245", "source_id": "mvc-8648", "total_magnetization": 4.0216219, "hash": "8505595260971780115902565485841016626440174742798590077666644821926973371692913311787605103177034641558996243266453830743312248206989486054223528939893482", "id": "MD_8505595260971780115902565"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4619605693473513703024902
|
4619605693473513703024902442888976467821921110362530371289177499437225555446033309451755537563723652465394356728020146172289593950489624790255300474318040
| 2025-04-17T18:48:22
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -30.876678
|
[] |
[] | null | 3.7373
|
unknown
| null | null | null | null | null | null |
CO_5409495940206012419865615
|
5409495940206012419865615729597623931898162861409188497684132124293100189005600430432645704993083149277229677485822445096933793791679754232108741197004410
|
3255426551577960918488446505323073883987868945343240340205552384757024647735113729836857927544933146305639103125470340447843318706118299432064060484711828
|
[
[
7.888999,
0,
0
],
[
0,
7.888999,
0
],
[
0,
0,
26.75385
]
] |
[
[
1.9746322276980002,
0,
1.16654812155
],
[
5.9143667723019995,
0,
1.16654812155
],
[
0,
5.9143667723019995,
24.95227249485
],
[
0,
1.9746322276980002,
24.95227249485
],
[
3.9444995,
0,
2.690902233
],
[
0,
0,
2.6912232792
],
[
2.0208538728390004,
5.868145127161,
26.4363353082
],
[
5.868145127161,
2.0208538728390004,
26.4363353082
],
[
2.0208538728390004,
2.0208538728390004,
26.4363353082
],
[
5.868145127161,
5.868145127161,
26.4363353082
],
[
0,
3.9444995,
23.4279183834
],
[
0,
0,
23.4275973372
]
] |
[
true,
true,
true
] |
Cd4Cl8
|
CdCl2
|
A2B
|
[
"Cd",
"Cl"
] |
[
0.3333333333333333,
0.6666666666666666
] |
[
48,
48,
48,
48,
17,
17,
17,
17,
17,
17,
17,
17
] | 12
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_214"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/9641/MD_7344704709941798563469641.json
| null |
{"exfoliation_energy_per_atom": 0.10258926666666679, "material_id": "2dm-218", "source_id": "mp-567471", "total_magnetization": 0.0, "hash": "734470470994179856346964176910462882294192939563385336172913316698472927271657985474713315064432604433060529810103596194166258724671760780813517539774049", "id": "MD_7344704709941798563469641"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4621825938179714237271397
|
4621825938179714237271397338846050372230724517869436842523833195076027503949373905536366458545768453807203588219711766158620658621779668665816775308118001
| 2025-04-16T18:07:53
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -168.519335
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_1959708470870735846601606
|
1959708470870735846601606117938471976216070903344488049923574411663340765889154271371513178026327986266715804236349288958132028919134113060214339815847517
|
8589665830500851158188603634747617840690201375063063488900326755659770218924115209210808683639488284848645630553971050449793874465055133113418467359613055
|
[
[
5.71385494,
0.00005789,
0
],
[
-0.00033349,
11.57864626,
0
],
[
0,
0,
26.666021
]
] |
[
[
2.843248383156612,
11.516288050070727,
13.336634412253899
],
[
2.84497496090508,
5.720753455299742,
13.3373757276377
],
[
5.682039002175926,
11.508026269019467,
13.337725585833219
],
[
4.148379686196476,
8.618477810460202,
11.40800244371945
],
[
1.4043042909724002,
2.8292419688770303,
15.17288035107259
],
[
5.683758287522121,
5.729605492284187,
13.33771811934734
],
[
4.267105832490693,
0.3177407915047236,
10.289788185804401
],
[
1.408048172114233,
11.209213483951892,
16.40050342652917
],
[
4.268173982159138,
5.340738757194424,
10.29019857586759
],
[
1.409051282485838,
6.027938918420682,
16.400919683116978
],
[
1.5917736154747664,
8.61901706189471,
11.504567305586122
],
[
4.259841420295321,
2.8288665734632574,
15.057810870593181
],
[
1.4017893135295845,
1.3699838811717882,
13.764182993316561
],
[
1.4068292009436483,
1.3468145979146053,
16.62245991894414
],
[
4.268249374677368,
7.016144557112018,
9.96712346517978
],
[
2.9079545808023717,
0.5182820268241751,
11.368509533298031
],
[
2.7604230686541875,
6.253743043399723,
15.347464123860641
],
[
0.057909140668905006,
6.258258428917624,
15.349001419971291
],
[
4.259728081687323,
10.106691489950624,
12.93382123227084
],
[
5.624255124947002,
0.5138221269147044,
11.37223104318879
],
[
5.625841821985389,
5.145483853583773,
11.372223843363122
],
[
0.0566078837716697,
10.979200520362083,
15.34905448535308
],
[
1.4026643219606276,
4.288588822703216,
13.76429712388644
],
[
4.2609246281337585,
7.130667715227699,
12.93405029339123
],
[
2.7590162659845974,
10.982997907073173,
15.34676467412981
],
[
2.909417986479022,
5.139551454076883,
11.36945777700479
],
[
4.267859727206394,
10.2207120598422,
9.96691093699241
],
[
1.4069497375775786,
4.311547237504915,
16.6225895158062
]
] |
[
true,
true,
true
] |
Cl2O16Se4W6
|
ClO8Se2W3
|
A8B3C2D
|
[
"Cl",
"O",
"Se",
"W"
] |
[
0.07142857142857142,
0.5714285714285714,
0.14285714285714285,
0.21428571428571427
] |
[
74,
74,
74,
74,
74,
74,
34,
34,
34,
34,
17,
17,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 28
| 4
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_4470"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/1217/MD_1148703122502347838411217.json
| null |
{"exfoliation_energy_per_atom": 0.03844808035714209, "material_id": "2dm-4481", "source_id": "mvc-1626", "total_magnetization": 14.002038, "hash": "11487031225023478384112175336720067547983198788396737180642273125377885110400818697717973528895236073998069399631852278554213686026869863511406459164078518", "id": "MD_1148703122502347838411217"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_1057690657541775207474678
|
10576906575417752074746789459641566117676042957827179548083349063422435896875762337165121133627702112647199027266413281801998622088794965170645221316608671
| 2025-04-16T17:32:02
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -17.791005
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_1093118015957961815308730
|
10931180159579618153087305738775696032318032038455562493262144863381309343427668853945820915689567737468125070401999045059509762559444401633015544875083625
|
2630551315776996041840719808063679955393287369916613748066224141584166554104850803037484110369357488690997560258170303433079844068936516040948244561730769
|
[
[
2.83678102,
0,
0
],
[
0,
6.27355981,
0
],
[
0,
0,
20.816747
]
] |
[
[
1.41839051,
0,
10.4083735
],
[
1.41839051,
2.7847099869443315,
9.9760075831353
],
[
1.41839051,
3.4888498230556686,
10.8407394168647
]
] |
[
true,
true,
true
] |
AgN2
|
AgN2
|
A2B
|
[
"Ag",
"N"
] |
[
0.3333333333333333,
0.6666666666666666
] |
[
47,
7,
7
] | 3
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_6339"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/8280/MD_9118998726451915092688280.json
| null |
{"material_id": "2dm-6359", "source_id": "mp-1018648", "total_magnetization": 1.1e-06, "hash": "9118998726451915092688280305214397671232253659006690604311109941776452459029114647050267711992972215976394455453686137298713500110040531044592978385908073", "id": "MD_9118998726451915092688280"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_1057678756275980024411331
|
10576787562759800244113315361314245559309314496938674610528292840078323649046860384617616256735802649792356056176446034513990700854838059165414138015349225
| 2025-04-16T17:49:42
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -38.883655
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_6697199869411977747746830
|
6697199869411977747746830167096220779118677717583789585697903323420701637417589856895545437532786717324848985550307671784051176602799311250412678991253024
|
6761952009779274288243480817221512440555600396819288452396884183832910075996555017949373504725809394179218077052946443884023527529298142073851741780390420
|
[
[
3.65159628,
0,
0
],
[
1.82579863,
3.16237506,
0
],
[
0,
0,
29.143014
]
] |
[
[
0,
0,
18.25782607524924
],
[
3.65159843246497,
2.10825109412502,
14.59136854690128
],
[
1.82579647753503,
1.05412396587498,
10.97811537920214
],
[
0,
0,
15.76342246670376
],
[
3.65159843246497,
2.10825109412502,
10.03702334251134
],
[
3.65159843246497,
2.10825109412502,
19.17965807684772
],
[
1.82579647753503,
1.05412396587498,
13.19313482115438
]
] |
[
true,
true,
true
] |
Al2MnS4
|
Al2MnS4
|
A4B2C
|
[
"Al",
"Mn",
"S"
] |
[
0.2857142857142857,
0.14285714285714285,
0.5714285714285714
] |
[
25,
13,
13,
16,
16,
16,
16
] | 7
| 3
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_3184"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/6956/MD_1382113618507342765706956.json
| null |
{"exfoliation_energy_per_atom": 0.05485330857142845, "material_id": "2dm-3195", "source_id": "mp-1025314", "total_magnetization": 4.5475083, "hash": "1382113618507342765706956234743500614239649712480952187635204217868253971990300390567266326084110483415586052230120662430561189589401447151738713150121971", "id": "MD_1382113618507342765706956"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_1018078412788916941670203
|
10180784127889169416702036720574935792343864519476968873564382530870894604452830357589127581303911439139831052811060032102053711363921178237932556793831341
| 2025-04-16T19:01:02
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -55.791221
|
[] |
[] | null | 7.6204
|
unknown
| null | null | null | null | null | null |
CO_7677775972310272987548264
|
7677775972310272987548264116123579206216735288699332612244023108414824787174566189981786491111987037929686672024344343631669777381035239384551873290088238
|
8293376105251557787932522817728074610461298436621179402414459767962029418545277579520254166939217936328061250833514928304634042660553068381720655370367718
|
[
[
6.16169868,
6e-8,
0
],
[
-3.08084881,
5.33618818,
0
],
[
0,
0,
22.872045
]
] |
[
[
3.08085259751583,
1.7787276546039599,
19.3331966561517
],
[
-0.0000027275158301624204,
3.55746058539604,
19.3163051934783
],
[
-1.182760655534689,
2.057719007651317,
20.43351195994605
],
[
1.890193359519124,
3.283027648015749,
20.43351195994605
],
[
-0.7074316439844357,
5.331629764332934,
20.43351195994605
],
[
3.788281513984436,
0.004558475667066,
18.21598988968395
],
[
1.1906565104808755,
2.053160591984251,
18.21598988968395
],
[
4.263610525534689,
3.278469232348683,
18.21598988968395
]
] |
[
true,
true,
true
] |
F6Y2
|
F3Y
|
A3B
|
[
"F",
"Y"
] |
[
0.75,
0.25
] |
[
39,
39,
9,
9,
9,
9,
9,
9
] | 8
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_414"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/8557/MD_1323418643648144130188557.json
| null |
{"exfoliation_energy_per_atom": 0.0520959224999995, "material_id": "2dm-419", "source_id": "mp-23309", "total_magnetization": -0.0, "hash": "13234186436481441301885579584278220742211438447989446517885116679182741322759334062635108765504572471891127635154587851091179907330285547476157687209754689", "id": "MD_1323418643648144130188557"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_1058075887282953359370773
|
10580758872829533593707735866371118577604364719053394590800748636240160672606050539586310022414618775390440360465271902486387925440345022733615868586819272
| 2025-04-16T17:14:08
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -15.6082
|
[] |
[] | null | 0.4838
|
unknown
| null | null | null | null | null | null |
CO_4868190889740340376914273
|
4868190889740340376914273143791460440378743117873190760052838814182358364948030326851499745057123711770738933528310089273314864548176072252103095772330963
|
6604379766660226043607627898393570033398060242874987947203684473864509027548723918315755113069123813846765907243622895105548691813613201082661581293887489
|
[
[
4.47144689,
0.00915046,
-0.13010077
],
[
-0.01215807,
4.79606505,
-0.11789788
],
[
-0.2333154,
-0.17181552,
22.47346683
]
] |
[
[
2.7952766324305935,
4.433696254202523,
5.970974849918006
],
[
0.4710829150662905,
1.947429206347564,
2.7419813847149337
],
[
2.7169469803265547,
3.9760850058867185,
3.050962571076906
],
[
0.5547830527503071,
1.6363392153682594,
5.679460199690983
]
] |
[
true,
true,
true
] |
Bi2Sb2
|
BiSb
|
AB
|
[
"Bi",
"Sb"
] |
[
0.5,
0.5
] |
[
83,
83,
51,
51
] | 4
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_2076"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/0305/MD_1044486558062234373790305.json
| null |
{"material_id": "2dm-2083", "source_id": "mvc-15384", "total_magnetization": 0.0, "hash": "10444865580622343737903050238293621593120661784857864853937526995120249626581149560253961883501261116783665522777570823830052761688270787983901697355897167", "id": "MD_1044486558062234373790305"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4618714638993254138278230
|
4618714638993254138278230669744151355696706498006114266806710181610920731680844087557711238809596788007704043141000152807704837533967032983620913740875472
| 2025-04-16T22:04:30
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -10.946171
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_1354755687398319868650240
|
1354755687398319868650240549264470057533938346719900077651217121694230223890328859730954508235014387931679080583287372333967505035628349659511958368077330
|
11851142344743863529575279063436248659026475849867356323306026175675326179564681425301363671430840932806737632184329713135284743866105286971346871563887128
|
[
[
2.41052425,
0,
0
],
[
0,
6.68204076,
0
],
[
0,
0,
20.816747
]
] |
[
[
1.205262125,
0,
10.4083735
],
[
1.205262125,
4.656879051589549,
9.0668111778139
],
[
1.205262125,
2.0251617084104505,
11.7499358221861
]
] |
[
true,
true,
true
] |
AgP2
|
AgP2
|
A2B
|
[
"Ag",
"P"
] |
[
0.3333333333333333,
0.6666666666666666
] |
[
47,
15,
15
] | 3
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_6257"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/5939/MD_6263754684375419278085939.json
| null |
{"material_id": "2dm-6276", "source_id": "mp-1018648", "total_magnetization": 6.2e-06, "hash": "62637546843754192780859390292808898011499195342094648222755931974385125839373669104904162699377206140285271614855866047495353958837276598799630413782972", "id": "MD_6263754684375419278085939"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4622681183544771774012083
|
462268118354477177401208366906656920764483375112102522620153950025182738887764580939317150526774060737227592145449382307768877872176702609222898782431525
| 2025-04-16T21:38:17
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -45.30533
|
[] |
[] | null | 2.91
|
unknown
| null | null | null | null | null | null |
CO_6118868605614761330124372
|
6118868605614761330124372760981503639329580836367867582324794346357681718708257484364855375972612988071685871336002514927286946662862987796967899771437328
|
1423520078835817601814618746110484710209042433378949040884964881768039083452745177706590597116360362343288197432304176636493030960218954957279524106463655
|
[
[
7.81468032,
0,
-2.16728849
],
[
0,
10.07657116,
0
],
[
0.04576302,
0,
24.86696953
]
] |
[
[
1.3638974817419591,
6.643019541217505,
24.091322509157116
],
[
5.271237641741959,
8.471837198782495,
23.007678264157118
],
[
2.5892056982580405,
1.6047339612175051,
-0.30799722415711855
],
[
6.496545858258042,
3.4335516187824946,
-1.3916414691571186
],
[
0.7440195580614719,
4.48650513899235,
23.19529115403009
],
[
6.223267854095252,
7.647252839868761,
20.94186885967442
],
[
2.3159276940952522,
7.467603900131239,
22.025513104674417
],
[
7.1792991088325575,
9.16504765660346,
-0.6586183251169357
],
[
0.6811442311674426,
0.9115235033965404,
23.358299365116935
],
[
3.2719589488325576,
5.9498090833965405,
0.4250259198830642
],
[
7.116423781938528,
5.59006602100765,
-0.4956101140300917
],
[
4.651359718061472,
0.55178044100765,
22.111646909030092
],
[
3.209083621938528,
9.524790718992351,
0.5880341309699083
],
[
4.588484391167443,
4.12676207660346,
22.274655120116936
],
[
5.544515645904748,
2.6089672598687605,
0.6741679353255828
],
[
1.6371754859047476,
2.4293183201312396,
1.7578121803255828
]
] |
[
true,
true,
true
] |
As4Br12
|
AsBr3
|
A3B
|
[
"As",
"Br"
] |
[
0.25,
0.75
] |
[
33,
33,
33,
33,
35,
35,
35,
35,
35,
35,
35,
35,
35,
35,
35,
35
] | 16
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_795"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/7562/MD_2443183656706641966357562.json
| null |
{"exfoliation_energy_per_atom": 0.08819029999999994, "material_id": "2dm-802", "source_id": "mp-569224", "total_magnetization": -0.0, "hash": "2443183656706641966357562650802356599234929013167946232764648314658325397009320912154849163430856211311961836946303293959522868396145246525633122825867798", "id": "MD_2443183656706641966357562"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4624210873191111797745979
|
4624210873191111797745979496214854861178481303148670945567641340610811989352085769849180159197271418761344259885566575703079563997724657524846539043341642
| 2025-04-16T17:42:15
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -16.21212
|
[] |
[] | null | 1.2962
|
unknown
| null | null | null | null | null | null |
CO_2729012536873997619141911
|
2729012536873997619141911103302261098943075243516069123677884761231187862330186857857443088172081073670586383796943351953763591087915554854475746436158947
|
5015363430814168978100778366468298105793907258261805946940961607479698549601286902198806309872166026606319341013049696510562884507911323191033291114040189
|
[
[
3.63352723,
0,
0
],
[
-1.81676362,
3.14672698,
0
],
[
0,
0,
22.665532
]
] |
[
[
0,
0,
11.332766
],
[
1.8167654300969502,
1.0489079444243399,
12.677012465234721
],
[
-0.000001820096949992082,
2.09781903557566,
9.98851953476528
]
] |
[
true,
true,
true
] |
Cl2V
|
Cl2V
|
A2B
|
[
"Cl",
"V"
] |
[
0.6666666666666666,
0.3333333333333333
] |
[
23,
17,
17
] | 3
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_3611"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/2774/MD_2945755329426975743562774.json
| null |
{"exfoliation_energy_per_atom": 0.07131423000000048, "material_id": "2dm-3622", "source_id": "mp-22877", "total_magnetization": 3.0021073, "hash": "2945755329426975743562774106909318691265349281809585548973763596414823049055967234903875637333731536905928898852795138955751127944845694782176412879067819", "id": "MD_2945755329426975743562774"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4626971938008195533483079
|
4626971938008195533483079964747477762639148836204503641351276696468126446001746659745984973379791868556909542970068583368862253829748046218025451153648817
| 2025-04-16T16:23:37
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -10.277693
|
[] |
[] | null | 3.9853
|
unknown
| null | null | null | null | null | null |
CO_1510827710271005819246562
|
1510827710271005819246562109775139041166316018098975068445175464556915155020216999959347048044557030963176895625876622496428098380002384388693911009596105
|
4537795498599499174920362152477353187891029407409841074160930745759746914254391844924141033288355946451785367147841420019323197558723888338940466545896176
|
[
[
5.101659,
0,
0
],
[
-2.550829,
4.418166,
0
],
[
0,
0,
22.742717
]
] |
[
[
0,
0,
0
],
[
2.5508322174959996,
1.472720527278,
20.926961217437
],
[
-0.0000022174960000984026,
2.945445472722,
1.8157557825629997
]
] |
[
true,
true,
true
] |
BaI2
|
BaI2
|
A2B
|
[
"Ba",
"I"
] |
[
0.3333333333333333,
0.6666666666666666
] |
[
56,
53,
53
] | 3
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_797"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/7398/MD_3092950818365615904267398.json
| null |
{"exfoliation_energy_per_atom": 0.1488752799999995, "material_id": "2dm-804", "source_id": "mp-23210", "total_magnetization": -0.0, "hash": "3092950818365615904267398869836251242513525301535376888522536526816058222939052071052362594796435007056345808605262610528712546391852315168303936258220492", "id": "MD_3092950818365615904267398"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4624245345670499796039249
|
4624245345670499796039249316903113586987180027877860323602812045347981663954499935034475076961841622818853400448733585647444698099140536181908557302976590
| 2025-04-16T17:35:49
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -9.331328
|
[] |
[] | null | 2.2554
|
unknown
| null | null | null | null | null | null |
CO_6764739857383011759223058
|
6764739857383011759223058852321118422941830529351861740777593643668128084127828438064926483793038592615867743849778752097913052800981908239988593778827648
|
11366451677600560661866134042097273408255309586019469947032583693206914635039455618270443147828765099256457455832282003048632135563528217471506393488867827
|
[
[
3.94531919,
-0.00026251,
4.1e-7
],
[
-1.97289283,
3.41867685,
-0.00000106
],
[
0.00000237,
-0.00000508,
20
]
] |
[
[
-0.0001258023497051922,
2.2791275179617823,
7.70722922997821
],
[
-0.000029833767014600018,
-0.0000998969367421,
7.7072902000212995
]
] |
[
true,
true,
true
] |
AlP
|
AlP
|
AB
|
[
"Al",
"P"
] |
[
0.5,
0.5
] |
[
13,
15
] | 2
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_1825"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/7975/MD_7638815462746667691037975.json
| null |
{"material_id": "2dm-6421", "source_id": "mp-7991", "total_magnetization": -0.0, "hash": "763881546274666769103797515798437685275847038563645500689778314241610157231647951350355562057470139090517845619411355499356802373445710065958507423323740", "id": "MD_7638815462746667691037975"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4625583333196296578362021
|
4625583333196296578362021889778257920879915160929484814906652370465571218397068603338538475919930866918460787540721501634531463007285163179837453602016434
| 2025-04-16T16:28:43
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -52.233517
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_6113888244533646943974053
|
6113888244533646943974053441940009441931756197405300540419368695798728089442295973257820188963728614600908738662247289619454831568788584211994079698919588
|
12907342729567954610412542480876544665735281619901045474639288724292391303499621704924600619318912166423914943562922605972029188056380067352377800955806825
|
[
[
3.18906761,
0,
0
],
[
-1.59453381,
2.76349777,
-0.00859745
],
[
0,
-0.01516857,
29.26838842
]
] |
[
[
0,
-0.00658038353169,
12.697124459199141
],
[
1.5945353945542504,
2.747399658498711,
9.249065256052384
],
[
-0.0000015945542506003943,
0.0029373596064792003,
16.136556943957473
],
[
1.5945322088292027,
0.9007706875965767,
7.704531784224528
],
[
1.5945353978577974,
0.9188873891690195,
14.355133770117465
],
[
0.000001591170797770553,
1.849566315340043,
17.681119684173755
],
[
-0.0000015978577974163583,
1.8314496137676002,
11.030517698280816
]
] |
[
true,
true,
true
] |
Mo3S4
|
Mo3S4
|
A4B3
|
[
"Mo",
"S"
] |
[
0.42857142857142855,
0.5714285714285714
] |
[
42,
42,
42,
16,
16,
16,
16
] | 7
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_27"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/7125/MD_7571222903044863034487125.json
| null |
{"exfoliation_energy_per_atom": 0.03503727857142902, "material_id": "2dm-28", "source_id": "mp-570122", "total_magnetization": 6.1e-06, "hash": "7571222903044863034487125420744347989200832361006428258979806342386930202972621090549390953034564863958854203451808510855805187661581364628803848123910604", "id": "MD_7571222903044863034487125"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_1018405340945105153903575
|
10184053409451051539035755570223635449921298973023092625213922771227574238442544606449930486019363815119395665279964599617006439687320936625951745305568215
| 2025-04-16T18:52:09
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -84.251898
|
[] |
[] | null | 1.0835
|
unknown
| null | null | null | null | null | null |
CO_1067755787619619958176198
|
10677557876196199581761980713364844896669798094708482511713441687827086694615852208331202080667805985724701813558466316357502544317798625563629347755713227
|
2234666333099812232432166785110228271724263856403631377387961829449110550843422967164819442954639729392079248929685140323249937882487507803061516791047034
|
[
[
3.93233681,
-0.07557445,
0
],
[
-1.84703666,
3.42006508,
0
],
[
0,
0,
38.260804
]
] |
[
[
1.7525216845479397,
3.22566113539243,
27.39441006455796
],
[
1.7501106327194065,
2.1558595222562946,
17.72211707416196
],
[
1.6841032647572056,
1.1190644517802608,
23.99831376250292
],
[
-0.23965456796017148,
2.345274184633875,
20.93863017091436
],
[
1.6311150639334624,
-0.011233480923215295,
14.389410889566081
],
[
1.9462187537488242,
2.504547479633217,
10.87274446368996
],
[
1.7504628416889976,
3.297546270019494,
25.301754137571923
],
[
-0.26121398300031573,
2.261144607105933,
23.248679777539962
],
[
1.696269460909395,
1.1295863145574865,
21.67388383269392
],
[
3.6055251889466047,
-0.0472549069033277,
19.55626426153004
],
[
-0.1981591104951511,
3.128726792179162,
17.13796795344372
],
[
1.7374631183724731,
2.2479545047257936,
14.79508330743336
],
[
1.5711392029702638,
0.0696300727361861,
12.26005443416716
],
[
-0.2145714403944338,
1.3217473207969053,
10.157370733060759
],
[
-0.2413039308464461,
2.1334935961373174,
27.50938301536188
]
] |
[
true,
true,
true
] |
Bi6O9
|
Bi2O3
|
A3B2
|
[
"Bi",
"O"
] |
[
0.4,
0.6
] |
[
83,
83,
83,
83,
83,
83,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 15
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_4013"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/6474/MD_9061770267569990864356474.json
| null |
{"exfoliation_energy_per_atom": 0.045557079333334194, "material_id": "2dm-4024", "source_id": "mp-684617", "total_magnetization": -0.0, "hash": "906177026756999086435647488676551854295306888820453823008064912740640792860436845069647523993233605862429130334635351264139289002889585583638067358758297", "id": "MD_9061770267569990864356474"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_1058140664026465607106904
|
10581406640264656071069043640234009325509969362461165654155829513172499200030775913484744132006738438348408096553026948393183505554027625750074279627850899
| 2025-04-16T18:44:19
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -15.185386
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_9864304068907727672681914
|
9864304068907727672681914802692483706137232996571069976493797289921635174675225093706579804252120208859469888019676714283744100099553829444942446950770834
|
11972005745316667419249258312486172157612779373559008980384584222604545246341536044329926737879370408018929670149785895116007039511779027479363595092017033
|
[
[
4.498887,
0,
0
],
[
-2.249444,
3.89615,
0
],
[
0,
0,
25.130912
]
] |
[
[
0,
0,
7.795709426047999
],
[
-0.0000025827770000102767,
2.59743463205,
5.181265257951999
],
[
-0.0000025827770000102767,
2.59743463205,
10.410128463231999
],
[
-0.0000025827770000102767,
2.59743463205,
7.795709426047999
]
] |
[
true,
true,
true
] |
In3Ir
|
In3Ir
|
A3B
|
[
"In",
"Ir"
] |
[
0.75,
0.25
] |
[
49,
49,
49,
77
] | 4
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_1526"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/0942/MD_1234839999437078594870942.json
| null |
{"exfoliation_energy_per_atom": 0.5099964225, "material_id": "2dm-1535", "source_id": "mp-2294", "total_magnetization": -4.5e-06, "hash": "12348399994370785948709422252375008935060313214566830276731298029029038969785472525272970741396924562923143485546807297847681720659884333643613313550436384", "id": "MD_1234839999437078594870942"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_1058223110312552912927439
|
10582231103125529129274398177665090158265856657426036207017460115339673861986637624087113426883507887372603736143878153765939761338101018096625155045412321
| 2025-04-16T16:50:51
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -60.304596
|
[] |
[] | null | 4.322
|
unknown
| null | null | null | null | null | null |
CO_4520248606482608545115938
|
452024860648260854511593876026657999863723101946664784052793396348885591002067638056846757007383265086798145822659962137288764166909774207822989287794086
|
9438661517505499342749144226502603978337909304950669145852851406306872334763275123861858505858768809800816455547588981572630849726301724123198937352857927
|
[
[
4.54254367,
0.02219352,
0
],
[
-0.39895216,
5.39461606,
0
],
[
0,
0,
23.91260614
]
] |
[
[
2.1971842224757063,
0.7652965163372514,
10.678482505310145
],
[
4.2689799774757065,
3.473701306337251,
13.234123634689855
],
[
2.010239257703433,
1.294905400653673,
13.953119267569166
],
[
4.082035012703432,
4.003310190653673,
9.959486872430835
],
[
1.477187031379367,
2.939925638061143,
13.364729746031369
],
[
3.947934946379367,
0.25371436806114317,
10.54787639396863
],
[
1.2800676140323504,
4.514908399177432,
10.022083379775635
],
[
3.75081552903235,
1.8286971291774319,
13.890522760224364
],
[
3.996759192302662,
3.0225923753793604,
11.480347274767626
],
[
1.9249634373026627,
0.31418758537936037,
12.432258865232376
]
] |
[
true,
true,
true
] |
As4O6
|
As2O3
|
A3B2
|
[
"As",
"O"
] |
[
0.4,
0.6
] |
[
33,
33,
33,
33,
8,
8,
8,
8,
8,
8
] | 10
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_3768"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/3429/MD_5310129899408130767883429.json
| null |
{"exfoliation_energy_per_atom": 0.053632962000000006, "material_id": "2dm-3779", "source_id": "mp-1582", "total_magnetization": 0.0, "hash": "5310129899408130767883429881742746036636865404785900908142914025271950103108477664843028291230003679622433735699345111842095693917945613187156628439077326", "id": "MD_5310129899408130767883429"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_1018655516798965279872910
|
1018655516798965279872910500106958258723322425326258731292954096187151899434777364196009866835064181247726873236564307540213246922747484079979293356573988
| 2025-04-16T18:49:01
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -81.745904
|
[] |
[] | null | 0.7376
|
unknown
| null | null | null | null | null | null |
CO_2769085832965783607755129
|
2769085832965783607755129530036493682845145991190350730417067611443744087211019142677451859958502604003359579571236491672925962939484198014547103737335256
|
6415024073749164128386450800199063201931330127343450062772052591684186916500217120415377169651017602141442702001743648513092723386220746634045727894327602
|
[
[
8.51877305,
0.07331139,
0
],
[
1.15461455,
10.05881831,
0
],
[
0,
0,
27.212374
]
] |
[
[
3.311779288128193,
6.524267875596632,
12.2455982336114
],
[
4.021690518068531,
6.988475651231265,
15.55686548375274
],
[
8.51600748887487,
3.8175621671522557,
11.65550851624726
],
[
5.61724738778151,
8.801677653825243,
13.19076616400088
],
[
6.9204506191618895,
2.0043601645582765,
14.021607835999118
],
[
0.7071456688152075,
4.208458552786888,
14.966775766388599
],
[
3.8759213887011366,
4.86047753447085,
14.129808861126701
],
[
5.779289210014844,
6.815260336793676,
11.59770263077776
],
[
6.758408796928556,
3.990777481589844,
15.61467136922224
],
[
8.661776618242262,
5.945560283912669,
13.0825651388733
],
[
0.9901681425468299,
2.082698996643122,
13.438360125829801
],
[
6.511647287789977,
7.35303229338689,
15.109785499718281
],
[
3.02875681439657,
8.650027431740396,
13.7740138741702
],
[
6.0260507191534245,
3.4530055249966303,
12.102588500281719
],
[
5.524651207114978,
4.822567547229116,
10.00481053551084
],
[
7.0130456452138725,
5.9834602123360945,
17.207563464489162
],
[
4.33164896282577,
3.445037910407365,
16.225272685612623
],
[
3.5162374412249906,
2.839929632807906,
12.513234925262541
],
[
1.8522378831184325,
0.6116587227308711,
15.418907999779899
],
[
1.0120725238249675,
0.0622493956526489,
11.793466000220102
],
[
8.20604788950308,
7.360989849157844,
10.987101314387381
],
[
9.02146056571841,
7.966108185575614,
14.699139074737461
]
] |
[
true,
true,
true
] |
Br8Pd8Te6
|
Br4Pd4Te3
|
A4B4C3
|
[
"Br",
"Pd",
"Te"
] |
[
0.36363636363636365,
0.36363636363636365,
0.2727272727272727
] |
[
52,
52,
52,
52,
52,
52,
46,
46,
46,
46,
46,
46,
46,
46,
35,
35,
35,
35,
35,
35,
35,
35
] | 22
| 3
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_3936"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/4927/MD_3126842709830512816154927.json
| null |
{"exfoliation_energy_per_atom": 0.08976746363636368, "material_id": "2dm-3947", "source_id": "mp-638749", "total_magnetization": -0.0, "hash": "3126842709830512816154927428220330063815804041406836576803831463911105002703847538737061826651383837563540377103734946128667921026032234763543150823874504", "id": "MD_3126842709830512816154927"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_1059591216054317371173921
|
10595912160543173711739210022900812795749807002426994311669805903216949783375111866852412973497423760778012544691978950313502054708681647016461846715599905
| 2025-04-16T21:56:50
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -41.071196
|
[] |
[] | null | 3.9982
|
unknown
| null | null | null | null | null | null |
CO_1110400741080424437969814
|
11104007410804244379698147689450229815672348132963619173334398855320162282269697930131877708854114033917746463727088213907448518394778883444136214057680194
|
1446118382506917115023605318650887518305320625932684190275390082842491134145774579010978399419166536759793468474569258524415185274019877617448767566791532
|
[
[
4.06405688,
0,
0
],
[
0,
4.06405688,
0
],
[
0,
0,
25.515016
]
] |
[
[
2.03202844,
0,
13.996764672615202
],
[
0,
2.03202844,
11.5182513273848
],
[
0,
2.03202844,
15.613126902956399
],
[
2.03202844,
0,
9.901889097043599
],
[
0,
0,
12.757508
],
[
2.03202844,
2.03202844,
12.757508
]
] |
[
true,
true,
true
] |
Br2La2O2
|
BrLaO
|
ABC
|
[
"Br",
"La",
"O"
] |
[
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] |
[
57,
57,
35,
35,
8,
8
] | 6
| 3
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_3397"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/9738/MD_1117372391292746249759738.json
| null |
{"exfoliation_energy_per_atom": 0.07066436499999984, "material_id": "2dm-3408", "source_id": "mp-23023", "total_magnetization": -0.0, "hash": "11173723912927462497597381398940893345842067291668782653996307736492796476251491182026779619289604164122098131252940473427923937839423109936398188325432380", "id": "MD_1117372391292746249759738"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_1059349370333389978911265
|
10593493703333899789112651715820812722665987000872005886033917097543170899500674840679174380802750801446149996363770814215419687045510421350930446943863160
| 2025-04-17T18:48:22
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -74.431494
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_7867423990032037496983700
|
7867423990032037496983700590754960866415704217308399858449267335550814569471854799625857029820711413774221092684017055696179422552212818977827847958140446
|
5851544409393125751555860999319287762451349007453981650474172667020842206849767494520132277181012482904343994966406644783860225266832959297472393822394184
|
[
[
3.77032384,
0,
0
],
[
0,
3.77032384,
0
],
[
0,
0,
30.19600883
]
] |
[
[
1.88516192,
1.88516192,
12.332320562411116
],
[
1.88516192,
1.88516192,
17.86592699968354
],
[
0,
0,
9.937389647398827
],
[
0,
0,
20.258948923017595
],
[
0,
0,
15.099663685685208
],
[
1.88516192,
1.88516192,
15.09717130711638
],
[
1.88516192,
0,
10.215441743747588
],
[
0,
1.88516192,
10.215441743747588
],
[
1.88516192,
0,
19.979763570457447
],
[
0,
1.88516192,
19.979763570457447
],
[
0,
0,
13.015205717782273
],
[
0,
0,
17.17901550849499
]
] |
[
true,
true,
true
] |
Ba2Mn2O7Tl
|
Ba2Mn2O7Tl
|
A7B2C2D
|
[
"Ba",
"Mn",
"O",
"Tl"
] |
[
0.16666666666666666,
0.16666666666666666,
0.5833333333333334,
0.08333333333333333
] |
[
56,
56,
25,
25,
81,
8,
8,
8,
8,
8,
8,
8
] | 12
| 4
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_5544"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/5104/MD_5282307373543792219405104.json
| null |
{"material_id": "2dm-5555", "source_id": "mvc-13314", "total_magnetization": 7.5031384, "hash": "5282307373543792219405104494253806083790684858164879780796823456347442906951893165503387496625166265979634234163047271191091620269992362174526863967745038", "id": "MD_5282307373543792219405104"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_1059312031781257469353847
|
10593120317812574693538476079772918613305900227361404372217113619832418045479838255831517864271077133668092818761791147801101104268405556002170269298410086
| 2025-04-16T15:40:54
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -20.428594
|
[] |
[] | null | 1.2342
|
unknown
| null | null | null | null | null | null |
CO_1333295408875827619354369
|
13332954088758276193543697307061849826796178678393553511863576586087129292921575900363752257645224864556678156770692567660198224553072407788140351500244452
|
7726491758688905347457800360486804129182774281564477123595447356596712992057712381233949431161414030093559770923489834684293353995437517203829900946433402
|
[
[
3.83196709,
0,
0
],
[
-1.91598355,
3.31858016,
0
],
[
0,
0,
26.456756
]
] |
[
[
1.91598545931688,
1.10619228047328,
11.427702877911079
],
[
-0.0000019193168799522174,
2.21238787952672,
15.029053122088918
],
[
0,
0,
13.228378
],
[
1.91598545931688,
1.10619228047328,
16.27084065008292
],
[
-0.0000019193168799522174,
2.21238787952672,
10.18591534991708
]
] |
[
true,
true,
true
] |
In2S3
|
In2S3
|
A3B2
|
[
"In",
"S"
] |
[
0.4,
0.6
] |
[
49,
49,
16,
16,
16
] | 5
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_6018"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/6142/MD_6083972135429488396906142.json
| null |
{"material_id": "2dm-6031", "source_id": "mp-1017565", "total_magnetization": -0.0, "hash": "6083972135429488396906142825541350605385743173372098386907962843382617709466067703847124960283423083699918789952885752229095345086254096612589282398496821", "id": "MD_6083972135429488396906142"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_1059735773991863099680884
|
10597357739918630996808844826471467644310645189047821044917631117931703807000459276103573190502302442558061706337574149926837793028696292748422466316482960
| 2025-04-16T18:55:36
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -69.600378
|
[] |
[] | null | 3.2906
|
unknown
| null | null | null | null | null | null |
CO_1230959015951250467297266
|
12309590159512504672972663815711498408583475666459672077199103687874039519093616143372636297284459114719717695018175882501308355377611571076191728288964662
|
5883932387426330786417957014284516216337967597044479281664824438224218485236017212280760563757937061908122187074414017149663497741299763889743631303177642
|
[
[
5.11672061,
0.00648921,
0
],
[
-0.19897557,
6.16931303,
0
],
[
0,
0,
26.118815
]
] |
[
[
2.4349354516629,
0.8834352024939559,
14.42046234509595
],
[
2.4828095883370995,
5.292367037506044,
11.69835265490405
],
[
-0.0314092020407582,
2.65213909997871,
11.46554050789635
],
[
4.949154242040757,
3.52366314002129,
14.65327449210365
],
[
0.688153065740945,
2.194516311393077,
13.50388208356915
],
[
4.229591974259055,
3.9812859286069227,
12.61493291643085
],
[
3.2710497577199202,
2.658804910153848,
14.940852570403353
],
[
1.6466952822800796,
3.516997329846151,
11.17796242959665
],
[
1.7499676366644201,
5.128377920481924,
13.456244499266951
],
[
3.1677774033355797,
1.0474243195180757,
12.66257050073305
],
[
1.0135031402558052,
0.053540469541259295,
11.111410383035901
],
[
3.904241899744194,
6.12226177045874,
15.0074046169641
],
[
0.6103436253076782,
2.431135895463492,
16.11881164927965
],
[
4.307401414692322,
3.744666344536508,
10.00000335072035
]
] |
[
true,
true,
true
] |
F4O6Te4
|
F2O3Te2
|
A3B2C2
|
[
"F",
"O",
"Te"
] |
[
0.2857142857142857,
0.42857142857142855,
0.2857142857142857
] |
[
52,
52,
52,
52,
8,
8,
8,
8,
8,
8,
9,
9,
9,
9
] | 14
| 3
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_3567"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/1776/MD_7361110126765442659551776.json
| null |
{"exfoliation_energy_per_atom": 0.09085778571428538, "material_id": "2dm-3578", "source_id": "mp-29185", "total_magnetization": -0.0, "hash": "7361110126765442659551776902181143937827272027486145765795710256117875844189096502098877933009227769476151262741637346798139702679440252674940841178937268", "id": "MD_7361110126765442659551776"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_1019043953607421244386589
|
10190439536074212443865899249377172779648897054534295591862859689331476228833971417205437237461987259632387522638281092052249216273893870097522864086807711
| 2025-04-16T16:57:33
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -36.186525
|
[] |
[] | null | 0.8624
|
unknown
| null | null | null | null | null | null |
CO_4462158899771142690489368
|
4462158899771142690489368529027529412108504563173087459462382009472816446321406155949227137451846475034128896106373433754199655299389572941455537583878532
|
10097340316267472478665136141557912603194996580401721999910115245377122854528280115083758869022784557462835882856239033824634026336948445600212750054664420
|
[
[
3.254112,
0,
0
],
[
0,
6.097196,
-0.113215
],
[
0,
0.039856,
24.411249
]
] |
[
[
0,
6.114239575912001,
24.180962686213004
],
[
1.627056,
2.4577653052080004,
24.362104675844
],
[
0,
3.818151193844,
22.796863019442
],
[
0,
1.6997532975840002,
1.851505949633
],
[
1.627056,
4.71398573202,
1.335102036539
],
[
1.627056,
0.7353155498280001,
22.393598495086
]
] |
[
true,
true,
true
] |
Cl4Hf2
|
Cl2Hf
|
A2B
|
[
"Cl",
"Hf"
] |
[
0.6666666666666666,
0.3333333333333333
] |
[
72,
72,
17,
17,
17,
17
] | 6
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_332"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/4623/MD_8052686106103651428844623.json
| null |
{"exfoliation_energy_per_atom": 0.06411805416666638, "material_id": "2dm-337", "source_id": "mp-570506", "total_magnetization": 0.0, "hash": "8052686106103651428844623312456542503274044586665536086543767191075852963099704224959678094444088674451239261308866616432656074347506977025197854611769340", "id": "MD_8052686106103651428844623"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_1058530140406599976414448
|
10585301404065999764144483316391250970523863636839798295007319010569061427259893082819223589445453284063544900959409574666328342668211355463758114401078821
| 2025-04-17T17:45:49
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -44.336179
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_2183243474296509229222396
|
2183243474296509229222396055021995094215498389745048252665516561229214997829218785668069757616935427374972539509167593803466878942655913997395641335804243
|
11798458693906469325083923256274850698124257704341357431657429468959977085771677775978840717428730750295586577075931435410459450482766882852489496498821468
|
[
[
2.83886781,
-0.00053039,
-0.00032226
],
[
-0.00176289,
9.42337305,
0.05196121
],
[
-0.00307281,
0.37213591,
26.25372193
]
] |
[
[
2.1246730776878873,
8.150103131945563,
22.86875192841944
],
[
0.7092413638309545,
1.6436164354848566,
3.4364048725666425
],
[
0.7047565933483236,
8.193416687905145,
25.843093189023207
],
[
2.129045749466073,
1.6025334574480634,
0.46207907430562123
],
[
2.128653971308971,
5.655372309246604,
1.6495088751237943
],
[
0.7054541869099022,
4.139805330936521,
24.655571676107847
],
[
0.7050574357867242,
8.83540920978299,
24.052765985808037
],
[
2.128881537975703,
0.9593484129359825,
2.252149245586343
],
[
2.1258009822271347,
5.281532717880052,
24.592628286638604
],
[
0.7085956479632751,
4.513773999458964,
1.7138511078056684
]
] |
[
true,
true,
true
] |
N4Se6
|
N2Se3
|
A3B2
|
[
"N",
"Se"
] |
[
0.4,
0.6
] |
[
34,
34,
34,
34,
34,
34,
7,
7,
7,
7
] | 10
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_1878"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/8675/MD_3460576642710398837168675.json
| null |
{"exfoliation_energy_per_atom": 0.14426807200000002, "material_id": "2dm-1885", "source_id": "mp-484", "total_magnetization": 8e-07, "hash": "346057664271039883716867505084866062695660096982318970942867581693555956170956480438481846914003371006890217360200471783369696358015039429203185712440622", "id": "MD_3460576642710398837168675"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_1059042636526972504654847
|
10590426365269725046548471381237575778134270170692462042196014150020349772234647118563391447327056171199632171212064975556454597140748194609652565909238579
| 2025-04-16T17:39:39
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -49.605525
|
[] |
[] | null | 0.149
|
unknown
| null | null | null | null | null | null |
CO_9688846876943110336071229
|
9688846876943110336071229255508543530508106806839522975344696628036870111704441440058331431349473900149224181230877601183315090299179416445488046666524322
|
6562334993444730382475009041835010359747103191297264467536603599582972911669037246660209847876516441672488053453971972841358257889730245569272234149320860
|
[
[
7.18427453,
-0.02121449,
0.54172911
],
[
3.06011144,
6.4964859,
0.61204788
],
[
-0.02352015,
-0.05962662,
22.1682648
]
] |
[
[
6.92708426101909,
1.9846867388650797,
12.256488235619718
],
[
5.079914149099505,
5.379353776902377,
12.211576270665384
],
[
8.462382590186012,
5.465705919741394,
12.524987506238473
],
[
0.2221221790190051,
0.038375735492131094,
10.112179504332243
],
[
5.200880855060313,
3.2372956228990732,
10.811953287311663
],
[
8.662338938009919,
3.4043018842801382,
10.980523631627955
],
[
6.667167213521363,
4.084474767121928,
13.779337719934306
],
[
3.7981647618748493,
0.03989869596239379,
10.232924240123983
],
[
1.6360720989286759,
0.9612325468713326,
13.079030734751472
],
[
5.13578612695619,
0.8533369745234919,
13.62942894130147
],
[
3.0658800911153996,
4.400799297131959,
13.491069217744618
]
] |
[
true,
true,
true
] |
Br8Re3
|
Br8Re3
|
A8B3
|
[
"Br",
"Re"
] |
[
0.7272727272727273,
0.2727272727272727
] |
[
75,
75,
75,
35,
35,
35,
35,
35,
35,
35,
35
] | 11
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_1229"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/3580/MD_4548426846793214388553580.json
| null |
{"material_id": "2dm-1238", "source_id": "mp-765332", "total_magnetization": 5.0066763, "hash": "4548426846793214388553580171642628766590153924081640056580247421056212594950400514093315506386312819289780273972651396850667946866800345759780271846672718", "id": "MD_4548426846793214388553580"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_1059083727190208455665012
|
10590837271902084556650121373257675632377653296951127824163239770860484111527303301252910636887866607041573840855095773446137728812962519209901270927020831
| 2025-04-16T16:46:19
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -52.219724
|
[] |
[] | null | 1.4503
|
unknown
| null | null | null | null | null | null |
CO_6885197176646666890592213
|
6885197176646666890592213361252061362591805292851119871634138483077713622878920827254551959115044808244823143379993888502455499287127431737489906060774207
|
13006582830310942392600378515530556322360929740594554103435132114582902783484926748004569224422444274462240892117714210671924394266637648318128955478813244
|
[
[
5.40937823,
-1e-8,
0
],
[
-2.70468963,
4.68465884,
0
],
[
0,
0,
21.405434
]
] |
[
[
-0.0000030480226200166224,
3.12310745155295,
11.46218415291774
],
[
2.70469164802262,
1.56155137844705,
8.68508124743026
],
[
0.0000025275429039089293,
1.3653671939083318,
10.07633256756442
],
[
1.522247305422876,
4.001972916325618,
10.07633256756442
],
[
-1.5222428300385984,
4.001972921953788,
10.07633256756442
],
[
1.182441294577124,
0.6826859136743817,
10.07093283278358
],
[
2.7046860724570956,
3.3192916360916684,
10.07093283278358
],
[
4.226931430038598,
0.6826859080462115,
10.07093283278358
]
] |
[
true,
true,
true
] |
N6Sn2
|
N3Sn
|
A3B
|
[
"N",
"Sn"
] |
[
0.75,
0.25
] |
[
50,
50,
7,
7,
7,
7,
7,
7
] | 8
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_372"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/5059/MD_3656951901139915320845059.json
| null |
{"exfoliation_energy_per_atom": -0.006592744999999844, "material_id": "2dm-377", "source_id": "mp-7542", "total_magnetization": -0.0, "hash": "3656951901139915320845059726619521146500146399688928113893802611052099738916725596479445889094607995089600565062493696888677979376184315978961818309289561", "id": "MD_3656951901139915320845059"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_1059038792318536664035740
|
10590387923185366640357408664200233271523355812429442740811576951475746175707165869904451967095913366574481017161729541157819069440813385487676191627961124
| 2025-04-16T18:16:44
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -18.730138
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_7661725146815898128617359
|
7661725146815898128617359355721795888724225867948151745792054268379719855465590354888684698780027130573171906029478851027120301108932026554140138459387881
|
12072939877369622895459673045195391559874687568039711767052528512863854636129480519627483256549447903776244146135188021461739785562512555864579324317392142
|
[
[
3.44085259,
0,
0
],
[
-1.7204258,
2.97986517,
0
],
[
0,
0,
23.2501016
]
] |
[
[
0,
0,
11.6250508
],
[
0,
0,
9.91124744839636
],
[
0,
0,
13.338854151603641
]
] |
[
true,
true,
true
] |
O2Ti
|
O2Ti
|
A2B
|
[
"O",
"Ti"
] |
[
0.6666666666666666,
0.3333333333333333
] |
[
22,
8,
8
] | 3
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_4028"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/3636/MD_1065661220579877138023636.json
| null |
{"exfoliation_energy_per_atom": 0.04969253500000015, "material_id": "2dm-4039", "source_id": "mvc-13391", "total_magnetization": 0.9850646, "hash": "10656612205798771380236360544658207840580423919902572504842955267405182043030560773127312523237798203459858724075422896038432191458263470502964409802726905", "id": "MD_1065661220579877138023636"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_1059065170432458772423573
|
10590651704324587724235731418877162897821450999887817423512913234937023184150324266996661273886264930528446610027377681156833653505517915166423922675136390
| 2025-04-16T18:42:23
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| null |
[] |
[] | null | 0.9418
|
unknown
| null | null | null | null | null | null |
CO_1499696504865980322626754
|
1499696504865980322626754852627732041981306333462369530065513944881572967366082782667913621146462531368162284378163075132062510615423890297932975230203071
|
4367565782447395316822316790575899043166735032876975237822350618899572464562547370208796912894851014040644359691943867369545511419330163118431411266768384
|
[
[
3.953795,
0,
0
],
[
0,
3.953795,
0
],
[
0,
0,
22.485034
]
] |
[
[
0,
0,
7.8178439564939985
],
[
0,
0,
5.447516642281999
]
] |
[
true,
true,
true
] |
ClIn
|
ClIn
|
AB
|
[
"Cl",
"In"
] |
[
0.5,
0.5
] |
[
49,
17
] | 2
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_165"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/5901/MD_1198466122901943951585901.json
| null |
{"exfoliation_energy_per_atom": 0.6572222375000001, "material_id": "2dm-168", "source_id": "mp-557835", "total_magnetization": 0.0, "hash": "11984661229019439515859018501411665856930018266853949432226156213620677114592228821553316298128833995578370304547203043806989196102619807055704169941257824", "id": "MD_1198466122901943951585901"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_1058930464949177503472820
|
10589304649491775034728201375463676558601033018431449097930119872874295844242354487321357591669765993527300153485078457874620730438035508621791576181241434
| 2025-04-16T18:47:56
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -67.66594
|
[] |
[] | null | 1.9039
|
unknown
| null | null | null | null | null | null |
CO_8408465673712826159296834
|
8408465673712826159296834325419386149958539103577092595352211229994507661890839345812539769486094432751245914678151068550017364326652708061122825445905236
|
13275544901740089044539836269006487301108516364429038989925775453693370979906955091406144591471733263909955299643091637151606264069529003621531881399189202
|
[
[
6.24667738,
-0.00370891,
0
],
[
1.03066338,
6.42405935,
0
],
[
0,
0,
24.87913
]
] |
[
[
2.6708830022145746,
5.1405954264375096,
12.0113742742308
],
[
4.606457757785425,
1.2797550135624904,
12.867755725769198
],
[
1.445208138549977,
1.5884866786221898,
13.707039244006399
],
[
5.8321326214500235,
4.831863761377811,
11.172090755993601
],
[
1.20736272339623,
4.580576440252657,
9.9974962752684
],
[
6.0699780366037706,
1.8397739997473428,
14.8816337247316
],
[
2.8794872229767563,
3.067958506835591,
13.8463810313539
],
[
4.397853537023243,
3.3523919331644096,
11.0327489686461
],
[
0.7953809696978527,
1.3226588642359627,
11.7619587568591
],
[
6.481959790302147,
5.0976915757640375,
13.1171712431409
],
[
3.6527144972899377,
6.366224465437107,
14.1639593939344
],
[
3.6246262627100627,
0.054125974562892205,
10.7151706060656
]
] |
[
true,
true,
true
] |
P2S8Sc2
|
PS4Sc
|
A4BC
|
[
"P",
"S",
"Sc"
] |
[
0.16666666666666666,
0.6666666666666666,
0.16666666666666666
] |
[
21,
21,
15,
15,
16,
16,
16,
16,
16,
16,
16,
16
] | 12
| 3
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_4730"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/4187/MD_1081632935469982812534187.json
| null |
{"exfoliation_energy_per_atom": 0.06508438833333319, "material_id": "2dm-4741", "source_id": "mp-6999", "total_magnetization": -0.0, "hash": "10816329354699828125341879649680077163381086345880802587308331940445375500466684722234093836323375358776470227153342782037322990048025107139538013794392470", "id": "MD_1081632935469982812534187"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_1058901714533273392204811
|
10589017145332733922048119649593078593026083998133555007465753864100356116422979961855657335062682969571965084353918785677800670288502160899318215722515036
| 2025-04-16T17:26:47
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -66.086788
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_9392021440976775172616524
|
9392021440976775172616524337558711983206742697071814249683225448545065648565582572859206515157555004073826065491568833442286043329987245359677260706357818
|
13200142560968769934604593145321934832365276688712731503544994952910224105318291875644478956440624583603152805889822028508474226314105311901240158232012740
|
[
[
3.97345896,
0,
0
],
[
0,
3.97345896,
0
],
[
0,
0,
28.65057
]
] |
[
[
0,
0,
14.325285
],
[
0,
0,
10.7253113694129
],
[
0,
0,
17.9252586305871
],
[
1.98672948,
1.98672948,
12.4379066403111
],
[
1.98672948,
1.98672948,
16.2126633596889
],
[
1.98672948,
1.98672948,
9.9886868783481
],
[
1.98672948,
1.98672948,
18.6618831216519
],
[
1.98672948,
0,
12.412263520643998
],
[
0,
1.98672948,
12.412263520643998
],
[
1.98672948,
0,
16.238306479355998
],
[
0,
1.98672948,
16.238306479355998
],
[
1.98672948,
1.98672948,
14.325285
]
] |
[
true,
true,
true
] |
Co2O5S2Sr3
|
Co2O5S2Sr3
|
A5B3C2D2
|
[
"Co",
"O",
"S",
"Sr"
] |
[
0.16666666666666666,
0.4166666666666667,
0.16666666666666666,
0.25
] |
[
38,
38,
38,
27,
27,
16,
16,
8,
8,
8,
8,
8
] | 12
| 4
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_4022"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/6663/MD_1252738007153414543046663.json
| null |
{"exfoliation_energy_per_atom": 0.056962155833334194, "material_id": "2dm-4033", "source_id": "mvc-3221", "total_magnetization": 6.2599813, "hash": "12527380071534145430466632888632792765761105329028210739984415160236389153135159839143356839495732077162246000016733266593966717410804043456824165979855166", "id": "MD_1252738007153414543046663"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_1058915711900919459945989
|
10589157119009194599459896436583280801582362275965331950419314210880342659507181111051424786614631929072549598061892831950765254560629762332604287222638430
| 2025-04-16T21:43:25
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -153.805157
|
[] |
[] | null | 2.2869
|
unknown
| null | null | null | null | null | null |
CO_2706882460514426449066246
|
2706882460514426449066246810173761710922321626069802153985179791771014941978399038500066215028329061329178372683396526474781210472755782271243062164410173
|
12656609016512236988071316776235518776493856686382076963341231304114949500798184412461610880878247412615444363770836138527554426900268414338919632586728075
|
[
[
7.13053544,
-0.18303822,
0
],
[
-1.29913981,
7.18028164,
0
],
[
0,
0,
28.27951
]
] |
[
[
3.100058816926421,
5.992834578426962,
14.4300238089028
],
[
0.15918656853581867,
4.358538842407337,
13.8494861910972
],
[
3.9082291224737995,
2.445444962687427,
14.413812014205101
],
[
1.532971623907818,
3.686160711266521,
16.8433887084498
],
[
1.077267416213505,
6.895968281490472,
17.3191284008925
],
[
5.2918592635665265,
4.49237363766435,
17.4881547493674
],
[
5.701707039305244,
0.7458632058571392,
17.4487198210577
],
[
5.987213596156996,
2.2421903549771605,
10.8307901789423
],
[
5.097920262755904,
5.675968743451588,
10.7913552506326
],
[
2.1819838006443653,
3.455412136587247,
10.9603815991075
],
[
1.7262808920898616,
6.665212526529559,
11.4361212915502
],
[
0.6501632035238806,
0.725646635108653,
13.865697985794899
],
[
1.8079486721366693,
2.487778498750426,
14.973936633307401
],
[
3.8153515467524834,
4.1140714627209745,
15.875732878254201
],
[
4.35475631766036,
0.8388401711775307,
15.813153150575198
],
[
1.2416427594162394,
5.497100856464755,
15.7000379385262
],
[
6.510403369268701,
3.077125107599723,
16.310962738212098
],
[
5.662684401225128,
6.456416902567486,
16.5286756566932
],
[
3.058964065189839,
6.387746877014136,
18.118242310619497
],
[
0.28136503295205695,
5.174257148777625,
18.3020919298511
],
[
2.9778861839058135,
5.177123269300094,
9.977418070148898
],
[
0.20028845080784086,
3.9636263607819435,
10.161267689380498
],
[
4.727103554772552,
3.7119181152285945,
11.7508343433068
],
[
5.178523097589168,
-0.08906454952200318,
11.968547261787899
],
[
2.017608457441631,
4.854279561612964,
12.5794720614738
],
[
0.20363600833732015,
2.332251426618549,
12.4663568494248
],
[
-0.5560990307548029,
6.237301775075106,
12.403777121745799
],
[
2.7504365233255705,
0.683313282083874,
13.305573366692599
]
] |
[
true,
true,
true
] |
Bi10Na2O16
|
Bi5NaO8
|
A8B5C
|
[
"Bi",
"Na",
"O"
] |
[
0.35714285714285715,
0.07142857142857142,
0.5714285714285714
] |
[
11,
11,
83,
83,
83,
83,
83,
83,
83,
83,
83,
83,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 28
| 3
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_5003"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/8954/MD_8631382182327950168368954.json
| null |
{"material_id": "2dm-5014", "source_id": "mp-756721", "total_magnetization": 0.0, "hash": "8631382182327950168368954605535553537740772488890655645533800470193652208140997208942723409143126416812871413749227470417455285141163312102854760585646483", "id": "MD_8631382182327950168368954"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4629066871793547500475536
|
4629066871793547500475536055129477088583506290769162766510180654999860123339363365046343145633209328484171249045162696074078720641790825294182827135126446
| 2025-04-17T18:48:22
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -93.405045
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_1083548258047600448179033
|
10835482580476004481790336585044341539075069760784148676688569611633692889899076013506255862829564155654928223957457435839231681821424800740014579071520479
|
10007672231927910969121261248321710305817066741087836692287363652153715060148460014463233953565463396287043519577877635872643703486150897558025958913186467
|
[
[
5.43900659,
0.00183104,
0.00000706
],
[
0.00187984,
5.44010648,
0.00009626
],
[
0.00000637,
0.00054757,
25.63583159
]
] |
[
[
2.720477043493078,
2.7211161443438927,
10.157226800308242
],
[
-0.0000135234463116,
0.00021999567646840002,
6.759659151269237
],
[
-0.0000257685563577,
0.0001643218485075,
9.290490738946573
],
[
2.7204927232800564,
2.7211916240673024,
7.631618000953645
],
[
4.600158951332274,
3.5641126092511928,
8.458480894550565
],
[
0.8407298237139601,
1.8781596441097586,
8.45845774185932
],
[
1.8793721173420763,
4.599397393269583,
8.461143366168226
],
[
3.5615486973164243,
0.8428823817604687,
8.461054717623162
],
[
1.546753325868681,
3.9581503099742794,
5.867045894257728
],
[
3.894132331446502,
1.484224708512105,
5.867013100565645
],
[
4.200912714560418,
1.175080220696484,
11.055197363765316
],
[
1.2399600554575212,
4.267147045658459,
11.055306442548003
],
[
3.957789742162318,
3.894478146034778,
5.862927692025606
],
[
1.4831462788370027,
1.5478982369982985,
5.862908353549287
],
[
4.266577189724931,
4.203016309632573,
11.059176127265157
],
[
1.1742268889255936,
1.2392149637926277,
11.059179934243355
]
] |
[
true,
true,
true
] |
Co4Si12
|
CoSi3
|
A3B
|
[
"Co",
"Si"
] |
[
0.25,
0.75
] |
[
27,
27,
27,
27,
14,
14,
14,
14,
14,
14,
14,
14,
14,
14,
14,
14
] | 16
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_1850"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/6322/MD_9318232562278987622746322.json
| null |
{"exfoliation_energy_per_atom": 0.2803468809375005, "material_id": "2dm-1858", "source_id": "mp-985707", "total_magnetization": 1.43e-05, "hash": "9318232562278987622746322293453153833962603489366956432558055558453389050932761551915863165234483058360149668216378470803869187270644669162332054763454721", "id": "MD_9318232562278987622746322"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4643650968754861058523227
|
4643650968754861058523227527145653742770339880176305867664495403934419109959363964614853472671182353131102679588953417275205287669501272615305286521365463
| 2025-04-17T18:37:27
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -30.536571
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_4960482630250652960241850
|
4960482630250652960241850243484924553452117860151398940607215920954902795837485118757785261652139347157515041927759428304014346123759722440483382563843153
|
7675720693833113729039945898246474765444253586057778224863503385842901646909513210367955824751450041422536584811728218870810415890883867209701673790375024
|
[
[
7.20966702,
0,
0
],
[
0,
8.04595184,
0
],
[
0,
0,
25.78836
]
] |
[
[
2.966385989134123,
0.7369024992226016,
0
],
[
0.5064099674482783,
3.74582860313817,
24.018196424414402
],
[
4.29989926694064,
2.4826891525293187,
22.6580136172728
],
[
4.2432810308658775,
4.759878419222602,
0
],
[
0.5064099674482783,
3.74582860313817,
1.7701635755856
],
[
2.9097677530593606,
6.505665072529319,
22.6580136172728
],
[
6.703257052551722,
7.76880452313817,
1.7701635755856
],
[
2.9097677530593606,
6.505665072529319,
3.1303463827272
],
[
4.29989926694064,
2.4826891525293187,
3.1303463827272
],
[
6.703257052551722,
7.76880452313817,
24.018196424414402
],
[
5.686599123513739,
2.1042244744745826,
0
],
[
1.5230678964862614,
6.127200394474583,
0
]
] |
[
true,
true,
true
] |
Rh2Sr10
|
RhSr5
|
A5B
|
[
"Rh",
"Sr"
] |
[
0.16666666666666666,
0.8333333333333334
] |
[
38,
38,
38,
38,
38,
38,
38,
38,
38,
38,
45,
45
] | 12
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_867"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/2018/MD_4813894412317668780412018.json
| null |
{"material_id": "2dm-874", "source_id": "mp-570356", "total_magnetization": 1.18e-05, "hash": "4813894412317668780412018611636437090383400251089344321382419826574594033119668324088466073437179858775275307568086289360709470491075818693070448044981220", "id": "MD_4813894412317668780412018"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4643857547955613517732669
|
4643857547955613517732669205836227098061143517763710079454820273463794773537922844121919717911399879555244821316330956443089398231239614675560791516026857
| 2025-04-16T16:06:20
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -41.801179
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_1128067211336724870988789
|
11280672113367248709887894667473101398103234867609431323388269604117885850559722369969111352298031054458990044937824558202478146471323397063168909900683707
|
4910516317105454383142749407521334290539168539835707369601960700016822950585692413066635364607111141560797563727411729259312282873879887174825230776152035
|
[
[
4.28866648,
0,
0
],
[
2.14433324,
3.71409405,
0
],
[
0,
0,
38.682375
]
] |
[
[
2.14433109566676,
1.2380301119686499,
11.429874741003749
],
[
4.28866862433324,
2.47606393803135,
27.383034320257497
],
[
4.28866862433324,
2.47606393803135,
15.13224917983125
],
[
0,
0,
19.145143289381252
],
[
2.14433109566676,
1.2380301119686499,
23.37425717587875
],
[
0,
0,
13.717113287666251
],
[
2.14433109566676,
1.2380301119686499,
28.7810989066875
],
[
2.14433109566676,
1.2380301119686499,
17.315680865415
],
[
4.28866862433324,
2.47606393803135,
21.252062010862502
],
[
4.28866862433324,
2.47606393803135,
10.037751767373749
],
[
0,
0,
25.1847969556425
]
] |
[
true,
true,
true
] |
Bi2Ge3Te6
|
Bi2Ge3Te6
|
A6B3C2
|
[
"Bi",
"Ge",
"Te"
] |
[
0.18181818181818182,
0.2727272727272727,
0.5454545454545454
] |
[
32,
32,
32,
83,
83,
52,
52,
52,
52,
52,
52
] | 11
| 3
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_4292"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/1035/MD_2828120323387507169671035.json
| null |
{"material_id": "2dm-4303", "source_id": "mp-540687", "total_magnetization": -7.9e-06, "hash": "2828120323387507169671035609615151979883149988261857913044346396126344045519071345493348377792166165831047409596605088166514025436677677032544364038827185", "id": "MD_2828120323387507169671035"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4643162150744258034349890
|
4643162150744258034349890627233569739506926649404598912097713281034677809687526680344956782711893558848420119831281873421284832345318934901263248116007942
| 2025-04-16T20:58:52
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -22.539684
|
[] |
[] | null | 0.8677
|
unknown
| null | null | null | null | null | null |
CO_1093228418728766687977778
|
10932284187287666879777780831728268603388682861738618663556412129702217221795175697915596821609760217641684986160443507244767166513082403126806618117251215
|
11244419162019858432357501365473518311750437764050297360939209672114939476324852322062184789299420472418868127381914270216070278391178454741797140747606021
|
[
[
4.01329534,
0,
0
],
[
-2.00664717,
7.84561702,
-1.23278388
],
[
0,
-0.0167609,
24.05948748
]
] |
[
[
2.0066518630419683,
3.134468133075624,
0.7218292771481892
],
[
-0.0000036930419681725756,
4.694387970163476,
22.104898382339293
],
[
2.0066476940423184,
0.6908577717041178,
1.7051627543156915
],
[
4.759576817492739e-7,
7.137998348295882,
21.12154084568431
],
[
0,
0,
0
],
[
2.0066498409572384,
2.877489406031356,
21.935991213471006
],
[
-0.0000016709572382856755,
4.951366713968644,
0.890712386528994
]
] |
[
true,
true,
true
] |
Se5Tl2
|
Se5Tl2
|
A5B2
|
[
"Se",
"Tl"
] |
[
0.7142857142857143,
0.2857142857142857
] |
[
81,
81,
34,
34,
34,
34,
34
] | 7
| 2
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_472"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/2951/MD_6612943779810842573062951.json
| null |
{"exfoliation_energy_per_atom": 0.10607662000000007, "material_id": "2dm-478", "source_id": "mp-9254", "total_magnetization": -0.0, "hash": "6612943779810842573062951223269626818713474092169066437255432847568244688090781048071637877245504792896187208578570036129896653775433909861849194817123843", "id": "MD_6612943779810842573062951"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
PO_4646880117166043304659676
|
4646880117166043304659676290541680253891701456563270668951338941656799471506174074092519603123816067465828925773538704582187261277059670102408782049598507
| 2025-04-16T17:29:32
|
DS_hdv6si8yu2mv_0
| 1
|
VASP
|
DFT-vdW-optB88
| -114.81265
|
[] |
[] | null | 0
|
unknown
| null | null | null | null | null | null |
CO_1318941141667957268124808
|
13189411416679572681248084865293586263964814355156632178843766490152565221117913978009430780822589021637549031230581011299998857138805228462024345844862605
|
9135071759680689387286399197843820979510313805993673206866289843999007033906045235796914134671136538115014427731495091231311571120089072323811432051140154
|
[
[
3.45009338,
-0.00017859,
0
],
[
-1.7253787,
2.98767665,
0
],
[
0,
0,
60.789905
]
] |
[
[
0.000033068955879052014,
1.9915780303292525,
20.156794510978397
],
[
1.7239127946666368,
0.9963638755666496,
33.399288084746104
],
[
1.7236695992335977,
0.9965042748843773,
38.90959571036065
],
[
1.7244452989889478,
0.9960564551410059,
27.990632122474448
],
[
1.724992863935012,
0.9957403400566139,
22.560346504104746
],
[
-0.0014284326047918805,
1.992421770770476,
36.13342652344535
],
[
-0.0006228703755400493,
1.9919567111023702,
25.2763890038836
],
[
-0.000845105146655026,
1.9920850096063756,
30.694038224700947
],
[
1.7237737814865683,
0.9964441293583961,
35.4844219475834
],
[
1.7244321532898648,
0.9960640442933155,
24.648203146786997
],
[
1.7242192343684937,
0.9961869646578893,
30.07917143578985
],
[
-0.0012360603075782426,
1.9923107121912051,
32.780915542013645
],
[
-0.0015291472914687363,
1.9924799144334464,
38.17428953006735
],
[
-0.00003250427537436958,
1.9916158864551432,
21.94769976252425
],
[
-0.0006127264502630472,
1.9919508549060996,
27.368789691964597
],
[
1.7235373141672328,
0.9965806444643116,
40.715299048480645
]
] |
[
true,
true,
true
] |
FLiMn7O7
|
FLiMn7O7
|
A7B7CD
|
[
"F",
"Li",
"Mn",
"O"
] |
[
0.0625,
0.0625,
0.4375,
0.4375
] |
[
3,
25,
25,
25,
25,
25,
25,
25,
8,
8,
8,
8,
8,
8,
8,
9
] | 16
| 4
| 0
|
[
0,
0,
0
] |
[
"twodmatpd_4349"
] | null |
data/MD/6422/MD_8361437096859737127706422.json
|
data/MD/1541/MD_7895723439919403670751541.json
| null |
{"material_id": "2dm-4360", "source_id": "mp-764671", "total_magnetization": 34.0736069, "hash": "789572343991940367075154107958628862607892123330014795584135087229753017563991769383289773228764883752566353411614501238547541022458411020058910752551886", "id": "MD_7895723439919403670751541"}
|
{"input": {"ediffg": 0.001, "encut": {"value": 520, "units": "eV"}, "isif": 3}, "hash": "836143709685973712770642249802021363298755712510257016008528462499753106729931976951293710259687057260939084550481939486198684946530715486620920000368279", "id": "MD_8361437096859737127706422"}
|
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.