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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
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|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
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| 2025-04-16T21:51:46
|
DS_7jji22dy5hix_0
| 1
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Quantum ESPRESSO
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PBEsol
| null |
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_4344012500457947576602564
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[
true,
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S2Ta
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S2Ta
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A2B
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[
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[
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[
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[
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data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/6261/MD_6121129566322130602206261.json
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{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
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PO_1009394001750055117855383
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| 2025-04-16T17:41:23
|
DS_7jji22dy5hix_0
| 1
|
Quantum ESPRESSO
|
PBEsol
| null |
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_5409191581430192131618889
|
5409191581430192131618889887286693492983267756692196880069064537789510467140043461764587517214343976240533476099722645099073031664308526198682533333152652
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[
true,
true,
true
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B4Mg2N2
|
B2MgN
|
A2BC
|
[
"B",
"Mg",
"N"
] |
[
0.5,
0.25,
0.25
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[
12,
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7,
7
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[
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[
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data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/7197/MD_3622099506960440605917197.json
| null |
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{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
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PO_1011263679463940171314553
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| 2025-04-16T18:45:49
|
DS_7jji22dy5hix_0
| 1
|
Quantum ESPRESSO
|
PBEsol
| null |
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_8351212229408589800437096
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[
true,
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BiPt2
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BiPt2
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A2B
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[
"Bi",
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[
0.3333333333333333,
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[
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[
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data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/4484/MD_1289727956280946637004484.json
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{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_1010008511007847595258328
|
10100085110078475952583285128876367345475364606775073872844305052940112862537416917265163970150325483861230419145764912868095581402996292173694293456803631
| 2025-04-16T21:57:13
|
DS_7jji22dy5hix_0
| 1
|
Quantum ESPRESSO
|
PBEsol
| null |
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_7973727762324193355714002
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7973727762324193355714002609328074231628417123592993042567782581810668897757863561532243263772395353514799548080022391714783659380460901221931274747902799
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[
true,
true,
true
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BaO8Sn4
|
BaO8Sn4
|
A8B4C
|
[
"Ba",
"O",
"Sn"
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[
0.07692307692307693,
0.6153846153846154,
0.3076923076923077
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[
56,
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8,
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8,
8
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| 3
| 0
|
[
0,
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[
"jarvis_epc_data_2d_45"
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data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/0686/MD_1282869541215042427680686.json
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{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
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PO_1014941599115146281443633
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| 2025-04-16T16:00:34
|
DS_7jji22dy5hix_0
| 1
|
Quantum ESPRESSO
|
PBEsol
| null |
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_7519165750208616233588698
|
7519165750208616233588698277961242362629092410373054678468521931650569578768676329081710446264476863172876845126020618014994337916379713017151078604013577
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[
true,
true,
true
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NbSe2
|
NbSe2
|
A2B
|
[
"Nb",
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[
0.3333333333333333,
0.6666666666666666
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[
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| 2
| 0
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[
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[
"jarvis_epc_data_2d_102"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/8974/MD_9252661863844620880168974.json
| null |
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|
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_1014864713966080186386810
|
10148647139660801863868107768981297992012333653900713519267916287276230084309413388641321288681048865585252162753644163780960325723953273629207652521649903
| 2025-04-16T22:03:29
|
DS_7jji22dy5hix_0
| 1
|
Quantum ESPRESSO
|
PBEsol
| null |
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_1255991896795580060556390
|
12559918967955800605563902205786575954856377452126664553948548194617762496807108848779721899325548340068897898540085591444628499114967935219104860990238063
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3559026005631707643315086693159444214491829290379980591721672771578008566001764846157662923668990309804572642945643334001310011945141334761462109460087124
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[
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[
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3.141889744905616,
0
],
[
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29.922778622681573
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[
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1.8433021917937624
],
[
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2.0945931632704107,
28.079472768551653
]
] |
[
true,
true,
true
] |
NbTe2
|
NbTe2
|
A2B
|
[
"Nb",
"Te"
] |
[
0.3333333333333333,
0.6666666666666666
] |
[
41,
52,
52
] | 3
| 2
| 0
|
[
0,
0,
0
] |
[
"jarvis_epc_data_2d_157"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/0619/MD_1237238053117676778660619.json
| null |
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{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_1052011069588371473015927
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10520110695883714730159272616615504680614456240042757679788701472516795995509186538567447173162203276400850275495330713568561413899791753166419517964065724
| 2025-04-16T21:09:02
|
DS_7jji22dy5hix_0
| 1
|
Quantum ESPRESSO
|
PBEsol
| null |
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_1681414737669626832000996
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1681414737669626832000996325648703742677778199645817402304770280620791021627219625382298054092635100787191131561939674245012121859740766975972097273570263
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[
true,
true,
true
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CoNb2S4
|
CoNb2S4
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A4B2C
|
[
"Co",
"Nb",
"S"
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[
0.14285714285714285,
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[
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[
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[
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data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/3372/MD_1226419756988193913863372.json
| null |
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"JVASP-27853", "lamb": 0.8835, "press": "0 GPa", "spg_number": 164, "stability": "stable", "wlog": 145.3271, "hash": "12264197569881939138633728070279758973169621286992516414414898412463790699106412917357852859048491297656783505698475414290608087344163794080291642528245046", "id": "MD_1226419756988193913863372"}
|
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_4546964194559656155502274
|
454696419455965615550227471075909580404654947716068033920259290263534591362829897805510218944959597763477521314856147719478007591391398561648083000289014
| 2025-04-16T18:55:10
|
DS_7jji22dy5hix_0
| 1
|
Quantum ESPRESSO
|
PBEsol
| null |
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_1335869615586382966244588
|
13358696155863829662445885838211625533519964041020814688530026150312922713150549851303184864088921020928551929955350975193577702195960444111669206886575818
|
9219145336224911547734984782220140251300042739486629082908575833978293672420105205958671865553693567436595089297050968030013602936141060238455310106145
|
[
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{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
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PO_1019182392527125877584541
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| 2025-04-16T21:44:51
|
DS_7jji22dy5hix_0
| 1
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Quantum ESPRESSO
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PBEsol
| null |
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_8742117557702799269340085
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8742117557702799269340085343529181424430012047561053096100582862318119590534357664012176735063282810566919309679339867231083193228364658734306117947825127
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S2Tl
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S2Tl
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A2B
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[
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data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/2294/MD_3300940637187857780672294.json
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PO_1019388293093712221634269
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1019388293093712221634269371567337078247183048041516058837434379446146267615376754660183783906536451037271533291811366670941371712524511718819685022612556
| 2025-04-16T16:08:40
|
DS_7jji22dy5hix_0
| 1
|
Quantum ESPRESSO
|
PBEsol
| null |
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_1812102936234678210040911
|
1812102936234678210040911403636706939594718430370197824830833167406334129148700467888233033665270621543170590942244466860023767071934829678865644813939312
|
7767967074381741373776593907490071883342490845191005012956929346364379474180845693382657336999513650824402719457164245317568482952393059418175284612703599
|
[
[
3.4391409317977844,
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0
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[
0,
2.9880616794563237,
0
],
[
-0.9037967509063138,
0,
20.705562074428332
]
] |
[
[
0.9356392171101087,
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[
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0,
19.759392316348706
],
[
-0.7836766343536481,
0,
18.53394924514726
]
] |
[
true,
true,
true
] |
HBMg
|
BHMg
|
ABC
|
[
"B",
"H",
"Mg"
] |
[
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] |
[
12,
5,
1
] | 3
| 3
| 0
|
[
0,
0,
0
] |
[
"jarvis_epc_data_2d_79"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/8118/MD_3701197599321029928248118.json
| null |
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{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
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PO_4682785081507000207785802
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| 2025-04-16T17:54:22
|
DS_7jji22dy5hix_0
| 1
|
Quantum ESPRESSO
|
PBEsol
| null |
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_4403599717246925836231000
|
4403599717246925836231000314998163857494810423107557525960477423409767393574132355108043554653654667437956742799517045123549361335312383357616363025217407
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[
true,
true,
true
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BiSe2
|
BiSe2
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A2B
|
[
"Bi",
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[
0.3333333333333333,
0.6666666666666666
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[
83,
34,
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| 2
| 0
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[
0,
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[
"jarvis_epc_data_2d_68"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/5321/MD_1126428311756293651595321.json
| null |
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|
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_4509835315086970528485135
|
4509835315086970528485135466798073139642006185502455146804490368075179226192493172290625727301724653053328322737350468654967160292512767797629942235830607
| 2025-04-16T17:04:26
|
DS_7jji22dy5hix_0
| 1
|
Quantum ESPRESSO
|
PBEsol
| null |
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_1187537301380217808870510
|
11875373013802178088705109774817137252986610911854256344268275835224794869708060006799450681662122702431436273212848845221122417272838669345852479771557610
|
11705742743012023505259992632383378011500388698011928553235984610408700750390079051457228398954211516545012624046874820933340991178404659636381605902926950
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data/MD/5202/MD_1086845055867124744315202.json
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data/MD/7980/MD_9913389161136493860357980.json
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"MD_9913389161136493860357980"}
|
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_1073303856936989735441160
|
10733038569369897354411601279819412396366281062137573022402717242019535169582562556300645273483951365038186115241187318299577643595200362012636293095756424
| 2025-04-16T15:43:08
|
DS_7jji22dy5hix_0
| 1
|
Quantum ESPRESSO
|
PBEsol
| null |
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_2750691716735019389492809
|
2750691716735019389492809371148032606194053096809789329968275255938688232242537817044272312905975124394157460239792985308662496314467146876993834841756114
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5571295367646410369818811911457461772574389839469912370986958527656364441568036583237140947852771195064982353643835668271057528980834804005642226729967438
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[
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[
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3.3401592001729576,
0
],
[
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25.459268150736236
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[
[
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[
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1.1133864000576525,
24.006643495944996
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[
0,
0,
0
]
] |
[
true,
true,
true
] |
IrTe2
|
IrTe2
|
A2B
|
[
"Ir",
"Te"
] |
[
0.3333333333333333,
0.6666666666666666
] |
[
52,
52,
77
] | 3
| 2
| 0
|
[
0,
0,
0
] |
[
"jarvis_epc_data_2d_98"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/9815/MD_6552025293138400259159815.json
| null |
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|
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_1072393630873895716482564
|
10723936308738957164825647917988150723452626196435263571263091156279149447115931086997066243298379831290161975838320584746212776287729587741724085496865701
| 2025-04-16T19:56:42
|
DS_7jji22dy5hix_0
| 1
|
Quantum ESPRESSO
|
PBEsol
| null |
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_8803412831676655446496777
|
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PO_5033806621675403453662171
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| 2025-04-16T16:09:58
|
DS_7jji22dy5hix_0
| 1
|
Quantum ESPRESSO
|
PBEsol
| null |
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_4429784577738418887740051
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4429784577738418887740051518923091870467354037637523426905549312315059307244766897311186244013230937322934317056502752681778897911447789333875928598583549
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[
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Na2NbSe2
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Na2NbSe2
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A2B2C
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[
"Na",
"Nb",
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[
0.4,
0.2,
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[
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[
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data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/3694/MD_1242709428862505401723694.json
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{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
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PO_5043504660567427910852437
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| 2025-04-16T16:47:26
|
DS_7jji22dy5hix_0
| 1
|
Quantum ESPRESSO
|
PBEsol
| null |
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_1218572914364931325519293
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[
true,
true,
true
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Sb6Te6
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SbTe
|
AB
|
[
"Sb",
"Te"
] |
[
0.5,
0.5
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[
51,
51,
51,
51,
51,
51,
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52,
52,
52,
52,
52
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| 2
| 0
|
[
0,
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[
"jarvis_epc_data_2d_146"
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data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/3540/MD_2156138991436815547083540.json
| null |
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|
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_5080879204624700867509433
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| 2025-04-16T18:35:06
|
DS_7jji22dy5hix_0
| 1
|
Quantum ESPRESSO
|
PBEsol
| null |
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_9405149234996760711816197
|
9405149234996760711816197492112106182701485390261742523615491770560728365847652664279857507288858103030429260458600380803232364327043997669051352395639557
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[
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[
true,
true,
true
] |
AlCl2
|
AlCl2
|
A2B
|
[
"Al",
"Cl"
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[
0.3333333333333333,
0.6666666666666666
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[
13,
17,
17
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| 2
| 0
|
[
0,
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0
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[
"jarvis_epc_data_2d_97"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/6011/MD_5549474983457399434136011.json
| null |
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PO_1029876051127098804700412
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| 2025-04-16T21:27:46
|
DS_7jji22dy5hix_0
| 1
|
Quantum ESPRESSO
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PBEsol
| null |
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_1031172919475793229107241
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10311729194757932291072418244140722412654685631540733194150365070066803992877534864424078316691252498809558478765153026448652260381984906098496164788434017
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N3W2
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N3W2
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A3B2
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[
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[
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data/MD/5202/MD_1086845055867124744315202.json
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data/MD/4148/MD_3760853091629361123434148.json
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PO_5109937129071328318326666
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| 2025-04-16T15:44:14
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DS_7jji22dy5hix_0
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Quantum ESPRESSO
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PBEsol
| null |
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_3575983986315556516163150
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3575983986315556516163150797008216273700453742046457517689553621953344178610799430247149544317545440167051237357548984259802440968228651430969756149157294
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Cl2O2Ti2
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ClOTi
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ABC
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[
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data/MD/5202/MD_1086845055867124744315202.json
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data/MD/0601/MD_8624335107453618703220601.json
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"press": "0 GPa", "spg_number": 59, "stability": "unstable", "wlog": 55.9931, "hash": "8624335107453618703220601688903671522907947906951409709356419486933401467658404215003850307341961984102495302511951282465192159496890854878781287723626724", "id": "MD_8624335107453618703220601"}
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{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_5117364182202034039751099
|
5117364182202034039751099637424473812162668977318236363078336174243204085563483672464343189445388125780977179995288633005558140513309009586541714707030698
| 2025-04-16T21:23:51
|
DS_7jji22dy5hix_0
| 1
|
Quantum ESPRESSO
|
PBEsol
| null |
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_4047537315269425424177703
|
4047537315269425424177703289426616000628360974985847893327623829355450478970528519643655659950543207025923581403339276825912702591732210201551162554198565
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[
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1.7336320249869772
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] |
[
true,
true,
true
] |
B2Mg
|
B2Mg
|
A2B
|
[
"B",
"Mg"
] |
[
0.6666666666666666,
0.3333333333333333
] |
[
12,
5,
5
] | 3
| 2
| 0
|
[
0,
0,
0
] |
[
"jarvis_epc_data_2d_6"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/9998/MD_2757190866554361511819998.json
| null |
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|
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_5117676668362384264672120
|
511767666836238426467212052402166323575377104433912931875808213314305031360721662595881512978488538667160487758050978840828234831223390479917954065723509
| 2025-04-16T20:20:45
|
DS_7jji22dy5hix_0
| 1
|
Quantum ESPRESSO
|
PBEsol
| null |
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_1204786904667268597121071
|
12047869046672685971210718840077394419954108372231725725953723177094581864250044064602206763198667940056309591869051897445229343675588965718204771653355896
|
11647071541959565676749190645883295219307271562741481867366330145028052498087700188404872712210851435443529234454953442244057417937710439145440324486676908
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data/MD/5202/MD_1086845055867124744315202.json
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data/MD/6723/MD_1305395064593089999906723.json
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{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
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PO_1033137523893594512762674
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10331375238935945127626744244917534981559548295639081984398669281669436834248859003811243771388437788864320414085352076371044201520362363728206660002054808
| 2025-04-16T18:13:42
|
DS_7jji22dy5hix_0
| 1
|
Quantum ESPRESSO
|
PBEsol
| null |
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_3741382321668720202054602
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3741382321668720202054602527597141432237298254544256695392919849163445131008204456348614068599465381963769621536546287815731860267607546275903465182248381
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[
true,
true,
true
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C2B4Mg2
|
B2CMg
|
A2BC
|
[
"B",
"C",
"Mg"
] |
[
0.5,
0.25,
0.25
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[
12,
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6,
6
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[
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[
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data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/9194/MD_1031291823918572787839194.json
| null |
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|
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_1033097011670998540620090
|
10330970116709985406200909554244485212703673825051744066659239396663317910135517816363865384042062127804810443018618212999395068712524762693767817728035623
| 2025-04-16T18:32:26
|
DS_7jji22dy5hix_0
| 1
|
Quantum ESPRESSO
|
PBEsol
| null |
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_8077272788525693847510181
|
8077272788525693847510181100634782553942689576953057627701540148740829751200211081460926230110495457891278809560443392446549345773077664483667631047385286
|
12654940128138978280032138802137517690393103962327184282780582731084160912622606238160547750062329398890268332098662277058328925007123963030598052833700708
|
[
[
4.138723438597022,
0,
0
],
[
-2.069361719298511,
3.5842396370631064,
0
],
[
0,
0,
28.016641002690747
]
] |
[
[
0,
0,
1.9899685658450514
],
[
0,
0,
26.026671300078483
],
[
2.069361719298511,
1.1947465456877022,
0.31059479627599335
],
[
-2.2974530270431073e-16,
2.3894930913754044,
27.706045069647537
],
[
-2.2974530270431073e-16,
2.3894930913754044,
3.955931716379116
],
[
2.069361719298511,
1.1947465456877022,
24.06070814954443
]
] |
[
true,
true,
true
] |
Ga2I2Y2
|
GaIY
|
ABC
|
[
"Ga",
"I",
"Y"
] |
[
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] |
[
39,
39,
31,
31,
53,
53
] | 6
| 3
| 0
|
[
0,
0,
0
] |
[
"jarvis_epc_data_2d_72"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/3505/MD_1872000821983902885433505.json
| null |
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|
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_5238466879450938584555703
|
5238466879450938584555703262254530890462002112079142499395584219407766191593718369096277615471796403544355744935327824491645988982465522519020100450010503
| 2025-04-16T16:23:01
|
DS_7jji22dy5hix_0
| 1
|
Quantum ESPRESSO
|
PBEsol
| null |
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_1331699181881976821910372
|
13316991818819768219103729375470468624229780808959311286981918626834797341199875656325038042197517886154918937803244526495938753611796720236908906526667474
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[
true,
true,
true
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CSc2
|
CSc2
|
A2B
|
[
"C",
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[
0.3333333333333333,
0.6666666666666666
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[
21,
21,
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| 2
| 0
|
[
0,
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[
"jarvis_epc_data_2d_147"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/7723/MD_2610982146754905236747723.json
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PO_1087270189138011181647095
|
10872701891380111816470954609499860178816620019580383040215751640149748103397772329501025696442285003035010072788014210786073850745069882746489245197046688
| 2025-04-16T21:22:14
|
DS_7jji22dy5hix_0
| 1
|
Quantum ESPRESSO
|
PBEsol
| null |
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_6756273135689229946770878
|
6756273135689229946770878797959184694408952172675065469750922692336798079529075536912894060646450043570373331416025149312751415678648619345503355482215501
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[
true,
true,
true
] |
Te4W2
|
Te2W
|
A2B
|
[
"Te",
"W"
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[
0.6666666666666666,
0.3333333333333333
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[
52,
52,
52,
52,
74,
74
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| 2
| 0
|
[
0,
0,
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[
"jarvis_epc_data_2d_35"
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data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/6354/MD_4175388499316908023566354.json
| null |
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931.185, 118.0464, 70.9189, 57.8386, 52.4352, 49.7221, 48.1643]}, "jid": "JVASP-661", "lamb": 1.1208, "press": "0 GPa", "spg_number": 11, "stability": "stable", "wlog": 48.1643, "hash": "4175388499316908023566354093656023487853103642116208801317895466795006649435016579603759670766505361953613688248923343238021377997983765267841310232569939", "id": "MD_4175388499316908023566354"}
|
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_5282333890520044899601031
|
5282333890520044899601031360847026481029571996863081446687334188286496319338974933993189901651194152050521129414570672082148071389885354862233740341351253
| 2025-04-16T20:14:25
|
DS_7jji22dy5hix_0
| 1
|
Quantum ESPRESSO
|
PBEsol
| null |
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_8384769382193067768579703
|
8384769382193067768579703431985776681931946582959878133756464706817229120122538649114107744012019427209944658746395329503612635477623074132386007486771403
|
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|
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PO_1095748695726383522663335
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| 2025-04-16T18:32:26
|
DS_7jji22dy5hix_0
| 1
|
Quantum ESPRESSO
|
PBEsol
| null |
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_8541119288975043637325003
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8541119288975043637325003323383862799781702197877503636836277665386565447064658791441761972994609480820685942121458065881056190137732771599712606945600824
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[
true,
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S2Ta
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S2Ta
|
A2B
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[
"S",
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[
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[
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[
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data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/8216/MD_8854359584809835134318216.json
| null |
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|
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_1041384456183255143713526
|
10413844561832551437135266791532927070713808794482628293704552073077765475240598504751388329913154160551125524944402253259590728741018061554495811811924913
| 2025-04-16T17:03:28
|
DS_7jji22dy5hix_0
| 1
|
Quantum ESPRESSO
|
PBEsol
| null |
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_8607082843395254650103349
|
860708284339525465010334999094920445068818855088645176194312882730580351031420694535727976876411948298449877464001178048542814730264576322171191141513860
|
7122337882630788843343433541763985917112080969733633976592347915113630588669898474032897355896087749599975298908816702993650859981590704743902475143816247
|
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{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
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PO_1100675657284280456896303
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| 2025-04-17T17:45:49
|
DS_7jji22dy5hix_0
| 1
|
Quantum ESPRESSO
|
PBEsol
| null |
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_1116207569919743562775300
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11162075699197435627753004974568046692294216560417820426212749559430060435808440915751623186144210668229786964708945503865599214362864603426343360275503147
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[
true,
true,
true
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B2O
|
B2O
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A2B
|
[
"B",
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[
0.6666666666666666,
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[
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[
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[
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data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/2980/MD_1301682865580083294172980.json
| null |
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|
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_5522606445379175828816597
|
5522606445379175828816597388528660050892199845454865681511206752857725361114005019943328569573781331467568528279149456300072021653106970391990663864894679
| 2025-04-16T17:12:08
|
DS_7jji22dy5hix_0
| 1
|
Quantum ESPRESSO
|
PBEsol
| null |
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_1210363617245482015524084
|
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PO_1107014506856204342665567
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| 2025-04-17T17:35:57
|
DS_7jji22dy5hix_0
| 1
|
Quantum ESPRESSO
|
PBEsol
| null |
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_3261427624138617488978036
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3261427624138617488978036696842892587599493646738058588696739388687191975889597427405905430535841609604832100437433985846179007697028372646417656449893535
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Fe2Li2P2
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FeLiP
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ABC
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[
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[
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[
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data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/0093/MD_7091448855554247768610093.json
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|
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_1119665132656051616892815
|
11196651326560516168928155478928714205136494231256734584788083201829193193599332599126014583786229504192325643291841707947874207380511714360668831279536651
| 2025-04-16T16:29:51
|
DS_7jji22dy5hix_0
| 1
|
Quantum ESPRESSO
|
PBEsol
| null |
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_4681059036978636317563762
|
4681059036978636317563762185578033351955914521026544873891997136719486632717991422659182843640759703195194801579962391154549714447731659523684213912864443
|
9583573373704259291988547007755286841394458896357136357817641410295691608457675869585742644995840253401867240118441450402325479978506433399523080393427656
|
[
[
3.7183805828125958,
0,
0
],
[
-1.859190291406298,
3.220212045654495,
0
],
[
0,
0,
25.551400064421223
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] |
[
[
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[
1.8591902914062985,
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24.128185602489534
],
[
-2.0641158686788262e-16,
2.14680803043633,
1.4232125751502092
]
] |
[
true,
true,
true
] |
AuSe2
|
AuSe2
|
A2B
|
[
"Au",
"Se"
] |
[
0.3333333333333333,
0.6666666666666666
] |
[
79,
34,
34
] | 3
| 2
| 0
|
[
0,
0,
0
] |
[
"jarvis_epc_data_2d_39"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/0805/MD_5910386465312257032600805.json
| null |
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PO_5761282205413400915209857
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| 2025-04-16T20:22:27
|
DS_7jji22dy5hix_0
| 1
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Quantum ESPRESSO
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PBEsol
| null |
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_7071463252389380775547262
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7071463252389380775547262579104799968157683546111573315745475907076549824096151940658193477553559282599842196619186234647116464694501122904041071012187073
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Si2Te2Zr2
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SiTeZr
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ABC
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[
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[
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data/MD/5202/MD_1086845055867124744315202.json
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data/MD/0111/MD_5672069563239407207240111.json
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{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_5822462991181984256167762
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5822462991181984256167762894668382180072536386938514025501770021836046950698922266706965962680785009515246163435640887186671565628530218320662495163822007
| 2025-04-16T18:14:38
|
DS_7jji22dy5hix_0
| 1
|
Quantum ESPRESSO
|
PBEsol
| null |
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_5753701537148136188354106
|
5753701537148136188354106043824809738867216393940893935952898456576793034406274836196605750008201505576564371446204622726069899138829546563932112671100563
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9264597252566572835013037943633931672097729373224599931713553223630229552735536537590775048645482123582916819295833850660090738791971390863516895179394340
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[
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[
true,
true,
true
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K2S2Sn
|
K2S2Sn
|
A2B2C
|
[
"K",
"S",
"Sn"
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[
0.4,
0.4,
0.2
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[
19,
19,
50,
16,
16
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| 3
| 0
|
[
0,
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[
"jarvis_epc_data_2d_8"
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data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/9574/MD_5309682466971284674759574.json
| null |
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"stability": "unstable", "wlog": 57.6287, "hash": "5309682466971284674759574950898962467011974327304707630945537443696214127339139204383643070343519660506180528336803516298414690166038068553567569976696804", "id": "MD_5309682466971284674759574"}
|
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_5825024753697051666514710
|
5825024753697051666514710087949102142247235899333371941123953172901638206968291983818219812859554189705838418710356305893228836096502181340082976688636048
| 2025-04-16T18:13:42
|
DS_7jji22dy5hix_0
| 1
|
Quantum ESPRESSO
|
PBEsol
| null |
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_3571068748515685849416156
|
3571068748515685849416156196054723439659323111769002459073842647936458581632678759085307539656465801513508104075963593291268773446743880005502711995101447
|
9333404090336648416767015889126231289975837895582620195377574136776861290749592900223501160627393806311060611300247709618873842359266193092600044043826841
|
[
[
3.563952768160642,
0,
0
],
[
0,
3.563952768160642,
0
],
[
0,
0,
25.60339074973002
]
] |
[
[
1.781976384080321,
1.781976384080321,
0
],
[
0,
0,
0
],
[
1.781976384080321,
0,
1.4289739545171571
],
[
0,
1.781976384080321,
24.174415589769946
]
] |
[
true,
true,
true
] |
Co2Se2
|
CoSe
|
AB
|
[
"Co",
"Se"
] |
[
0.5,
0.5
] |
[
27,
27,
34,
34
] | 4
| 2
| 0
|
[
0,
0,
0
] |
[
"jarvis_epc_data_2d_108"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/7262/MD_4100346440403435793197262.json
| null |
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{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_1134065833412982905347646
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| 2025-04-16T16:09:51
|
DS_7jji22dy5hix_0
| 1
|
Quantum ESPRESSO
|
PBEsol
| null |
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_4969102733716879321651890
|
4969102733716879321651890636390472127595324945617098950373843412429621336154584324169566171961586728447865773021098077773471297349558170503051003635892246
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[
true,
true,
true
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B2N
|
B2N
|
A2B
|
[
"B",
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[
0.6666666666666666,
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[
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7
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| 0
|
[
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[
"jarvis_epc_data_2d_88"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/9544/MD_1632645259864700461409544.json
| null |
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"jid": "JVASP-153099", "lamb": 0.6934, "press": "0 GPa", "spg_number": 65, "stability": "unstable", "wlog": 281.2643, "hash": "1632645259864700461409544266533958730064306892936782295026606601240688469730780796729123979323132121885395224591585782957836529041498253300604833348022756", "id": "MD_1632645259864700461409544"}
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{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_5884747220117864750539574
|
5884747220117864750539574964868550515419277125677894404657212799290341590722209512105114317437658955371010767588773904481704041741877514038889648610902595
| 2025-04-16T19:05:33
|
DS_7jji22dy5hix_0
| 1
|
Quantum ESPRESSO
|
PBEsol
| null |
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_7299508284272228274682345
|
7299508284272228274682345941079741456408232405526026566365777233512322852765773433323138059962670821423737803721645135847666073978319114595116998654158997
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5974302524999188234645440479769718535721519614728148255388234793390760353632144508811569936248895463510246159240577500828588880563231319816981206471279257
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[
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[
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[
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[
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[
true,
true,
true
] |
Br2Ca4Si2
|
BrCa2Si
|
A2BC
|
[
"Br",
"Ca",
"Si"
] |
[
0.25,
0.5,
0.25
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[
20,
20,
20,
20,
14,
14,
35,
35
] | 8
| 3
| 0
|
[
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[
"jarvis_epc_data_2d_41"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/6422/MD_1339548828665569196076422.json
| null |
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{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
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PO_5897589874051431208291050
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| 2025-04-17T18:37:27
|
DS_7jji22dy5hix_0
| 1
|
Quantum ESPRESSO
|
PBEsol
| null |
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_7331125377792557895132703
|
7331125377792557895132703620380242649995538193977377570407206964168475483028459034163665414843500908120296460568603282044547503083213417750714927126401053
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[
true,
true,
true
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AgTe2Tl2
|
AgTe2Tl2
|
A2B2C
|
[
"Ag",
"Te",
"Tl"
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[
0.2,
0.4,
0.4
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[
81,
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52
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[
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[
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data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/2850/MD_3947830047405634221502850.json
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"lamb": 1.0814, "press": "0 GPa", "spg_number": 115, "stability": "unstable", "wlog": 22.0123, "hash": "3947830047405634221502850139317529316803499426453042001148773772583751214129328908254478188365472105393502701007075173484603073967814246165997739105410219", "id": "MD_3947830047405634221502850"}
|
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_5963842202599995366086999
|
5963842202599995366086999931080323898054842914405082576318691833388047127961440026708215504719290649638488016374872298080725901701916360612586339506819131
| 2025-04-16T16:22:41
|
DS_7jji22dy5hix_0
| 1
|
Quantum ESPRESSO
|
PBEsol
| null |
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_8490571186835443230694299
|
8490571186835443230694299444294371508209037975112163330671506988547331841300700781891665485884682738640028059963197698339210402576954612703984206603675835
|
8945169273095444010092698864899253935331130240824638152363708690266276530497536086841223773486057799595662693073305475627608143009759634300677125626932599
|
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[
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21.11912237040152
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PO_1142469252554592129910693
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| 2025-04-16T16:06:08
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DS_7jji22dy5hix_0
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Quantum ESPRESSO
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PBEsol
| null |
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_1306237916053884563293255
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C2Sc2
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CSc
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AB
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data/MD/5202/MD_1086845055867124744315202.json
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data/MD/2519/MD_1417461765508877196072519.json
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88.1494, 89.7984, 91.2035, 92.3237]}, "jid": "JVASP-153117", "lamb": 0.9912, "press": "0 GPa", "spg_number": 164, "stability": "unstable", "wlog": 92.3237, "hash": "1417461765508877196072519475539912932137172261893843489140919856318442808713489574546044604535467779634209431767437882695591603249893308016081113896056955", "id": "MD_1417461765508877196072519"}
|
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_5985674400879786163509969
|
5985674400879786163509969459889962209901110060516382393287592650326979985011929146386818282991116642651275680135584372722859390375226285566272522060847466
| 2025-04-16T21:51:46
|
DS_7jji22dy5hix_0
| 1
|
Quantum ESPRESSO
|
PBEsol
| null |
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_3715455638593657526708469
|
3715455638593657526708469973745019910357450933761014064360166284702335946884417367043666442893435808930446538649495641481174570703211762764111446472160609
|
2126923747576214486992840296230883575721893728420072475715341015793555700939942775611099758153100624230676631972309208797498982557841014060937041575439543
|
[
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data/MD/5202/MD_1086845055867124744315202.json
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data/MD/9647/MD_1649824259173220001909647.json
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PO_1146690256776592887033228
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| 2025-04-16T18:49:27
|
DS_7jji22dy5hix_0
| 1
|
Quantum ESPRESSO
|
PBEsol
| null |
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_5121704661471373492216819
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Bi2Pt
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Bi2Pt
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A2B
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[
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[
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[
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data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/6950/MD_1260039206081532116766950.json
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|
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_6137883643053233676103688
|
6137883643053233676103688066482601066558032447501528174243510086428301557932260815815567224720168638896918461704200312170637027915537622398272083201706648
| 2025-04-16T20:03:53
|
DS_7jji22dy5hix_0
| 1
|
Quantum ESPRESSO
|
PBEsol
| null |
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_1137884195272939845755389
|
11378841952729398457553896285212603223093450240540282638037207789975492663399713871996224587145312821181376211515372529968607041416552809335484409893325201
|
238372573234529105748807244037325129076124148723187897142601194017532646023923726713499890140367685037479441590572668096062766396747438713343267479701109
|
[
[
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0
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[
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3.1777150058285923,
0
],
[
0,
0,
30.85308269414462
]
] |
[
[
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[
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29.106837198321017
],
[
-2.0368757947231707e-16,
2.1184766705523947,
1.746245833908769
]
] |
[
true,
true,
true
] |
Te2Ti
|
Te2Ti
|
A2B
|
[
"Te",
"Ti"
] |
[
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"press": "0 GPa", "spg_number": 164, "stability": "unstable", "wlog": 132.4863, "hash": "660319870894669882187785192005802631017309225904441431356777372444106247260468558493762590119207568791779100523975098938409720359156524719680730079319759", "id": "MD_6603198708946698821877851"}
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{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_1161524226808262280799444
|
11615242268082622807994443097655457016374969541852283752303023059645327137032579046296007041816771864675499406104211540898791565172268859024078179689333798
| 2025-04-16T16:50:51
|
DS_7jji22dy5hix_0
| 1
|
Quantum ESPRESSO
|
PBEsol
| null |
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_2593106779183818674677343
|
2593106779183818674677343886344974528886077013619875537801410777299265940637457352809159344951328684042912039632885120784951350175037426753166405311694287
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2722202309981035116264386326034621811868106397965797651870499251570972724309880861113258969011793935451641253391260911624486253731042727180697084900781388
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[
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[
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[
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] |
[
true,
true,
true
] |
Mo2Te4
|
MoTe2
|
A2B
|
[
"Mo",
"Te"
] |
[
0.3333333333333333,
0.6666666666666666
] |
[
52,
52,
52,
52,
42,
42
] | 6
| 2
| 0
|
[
0,
0,
0
] |
[
"jarvis_epc_data_2d_132"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/0700/MD_6733338344749586676280700.json
| null |
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|
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_1163315893735334153758384
|
11633158937353341537583841161716205767708525194120097472827346404653517485862985462979741225321644577816698266117047874531125937304436645072549783259892312
| 2025-04-16T17:26:48
|
DS_7jji22dy5hix_0
| 1
|
Quantum ESPRESSO
|
PBEsol
| null |
[] |
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{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_6190389074445932310142538
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| 2025-04-17T18:16:17
|
DS_7jji22dy5hix_0
| 1
|
Quantum ESPRESSO
|
PBEsol
| null |
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_8138820418196598267834910
|
8138820418196598267834910188764908873324853055316656289653892065314121989135390607647635580454629499636149305170253094154410382691668374829533851721928959
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[
true,
true,
true
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Se2Ta
|
Se2Ta
|
A2B
|
[
"Se",
"Ta"
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[
0.6666666666666666,
0.3333333333333333
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[
73,
34,
34
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| 2
| 0
|
[
0,
0,
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[
"jarvis_epc_data_2d_5"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/7712/MD_1218510706397512940107712.json
| null |
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| 2025-04-16T21:30:02
|
DS_7jji22dy5hix_0
| 1
|
Quantum ESPRESSO
|
PBEsol
| null |
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_2426325975230600024988418
|
2426325975230600024988418570200947761355779870504836377091071578900183655605005370699470299399635419071576592011710329991433035231880016105229832170030321
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[
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[
1.7761598543217538,
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[
true,
true,
true
] |
Hf2Te6
|
HfTe3
|
A3B
|
[
"Hf",
"Te"
] |
[
0.25,
0.75
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[
72,
72,
52,
52,
52,
52,
52,
52
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| 2
| 0
|
[
0,
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[
"jarvis_epc_data_2d_33"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/9416/MD_9266989190256343628519416.json
| null |
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{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_6249621475930093216138635
|
6249621475930093216138635422667428739668520950715997498110785993979715297657860164655673471036735446804827894353987792502122620818289134073660270964653257
| 2025-04-16T16:02:27
|
DS_7jji22dy5hix_0
| 1
|
Quantum ESPRESSO
|
PBEsol
| null |
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_9493335255136979745224352
|
9493335255136979745224352347095214654402483260725474004596945242800441901567945541330903732789407477005167256606506768655842432421711877633222593521403753
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[
true,
true,
true
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LiPdSi5
|
LiPdSi5
|
A5BC
|
[
"Li",
"Pd",
"Si"
] |
[
0.14285714285714285,
0.14285714285714285,
0.7142857142857143
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[
3,
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[
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[
"jarvis_epc_data_2d_153"
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data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/2774/MD_2890912176977568515722774.json
| null |
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34.093, 32.4631, 30.9868, 29.6781, 28.5456]}, "jid": "JVASP-13568", "lamb": 2.3484, "press": "0 GPa", "spg_number": 99, "stability": "unstable", "wlog": 28.5456, "hash": "2890912176977568515722774789354852797005180980046439518446232569928998990924978855363627704838116907019919297360467798121659609573312053379751283452903709", "id": "MD_2890912176977568515722774"}
|
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_6274707546413881653930961
|
6274707546413881653930961292021721854654423424461574303677737387021656930399804298742566550861255872110166958834451056670612925411750534515203459923707801
| 2025-04-16T16:32:07
|
DS_7jji22dy5hix_0
| 1
|
Quantum ESPRESSO
|
PBEsol
| null |
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_9796385070741593031809593
|
9796385070741593031809593444239586488810684212591988783238386809895150829177662710005518687781024187628413648867966900793138586885291014946485559790538821
|
8389261450628741681788074257416232985291763182946331115383589942439837046283779680585498061491698751673721220483945058817058551549961774600784480787713048
|
[
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0,
0
],
[
0,
27.374608809820682,
0
],
[
0,
0,
6.403421856796642
]
] |
[
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0
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0,
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0
],
[
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5.408308653442774
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[
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0.9951145711611116
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[
4.353600885606121,
13.687304404910343,
4.421143400027075
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[
1.4512002952020404,
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[
1.4512002952020404,
11.932989666093816,
5.408308653442774
]
] |
[
true,
true,
true
] |
Br6Ru2
|
Br3Ru
|
A3B
|
[
"Br",
"Ru"
] |
[
0.75,
0.25
] |
[
44,
44,
35,
35,
35,
35,
35,
35
] | 8
| 2
| 0
|
[
0,
0,
0
] |
[
"jarvis_epc_data_2d_121"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/8393/MD_7449286566951954867368393.json
| null |
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{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
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PO_6333631088644368615732560
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| 2025-04-16T18:46:05
|
DS_7jji22dy5hix_0
| 1
|
Quantum ESPRESSO
|
PBEsol
| null |
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_1058879350533946269974876
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10588793505339462699748763232715828442164540613932128234713847125875046587297870589388039804729915804882921154244981131123641153369479617694533394387883876
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[
true,
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true
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Au2Ti2
|
AuTi
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AB
|
[
"Au",
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[
0.5,
0.5
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[
22,
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79,
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[
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[
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data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/1462/MD_2752441898614554258781462.json
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{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
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PO_1177722807343053844553374
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| 2025-04-16T18:30:46
|
DS_7jji22dy5hix_0
| 1
|
Quantum ESPRESSO
|
PBEsol
| null |
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_3215659957805791894105009
|
3215659957805791894105009340730343706608120707650994656259642647795747736536529792438848318609526196930207506914691828859248185100001112171657418816193655
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[
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1.383557846090639
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[
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[
true,
true,
true
] |
PdTe2
|
PdTe2
|
A2B
|
[
"Pd",
"Te"
] |
[
0.3333333333333333,
0.6666666666666666
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[
52,
52,
46
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| 2
| 0
|
[
0,
0,
0
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[
"jarvis_epc_data_2d_113"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/2323/MD_8656442290787424315232323.json
| null |
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37.2635, 38.1689, 39.106]}, "jid": "JVASP-735", "lamb": 0.682, "press": "0 GPa", "spg_number": 164, "stability": "unstable", "wlog": 39.106, "hash": "8656442290787424315232323010969132979566844234060205382643832073751486254349187827998904888769003869543639997473894038241554472452067186546671283038893129", "id": "MD_8656442290787424315232323"}
|
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_1191830519898596884683220
|
11918305198985968846832205317491637447738835320771820427835633499016288174307295887583129754679322505613229265988102779339650195038702125870594219150545709
| 2025-04-16T16:54:28
|
DS_7jji22dy5hix_0
| 1
|
Quantum ESPRESSO
|
PBEsol
| null |
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_4643307667323933730133415
|
464330766732393373013341505521732639927190700933177375323224918243836867383220714413717940063724082342569909178619715639957540653840024444870760216533923
|
11166478484565701642543737063095727492138045211009159387670859052076617733433538050624263076730018494530274808808344150672641726350526186892330940339377674
|
[
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[
0,
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25.563168502678735
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[
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[
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[
true,
true,
true
] |
In2S2
|
InS
|
AB
|
[
"In",
"S"
] |
[
0.5,
0.5
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[
49,
49,
16,
16
] | 4
| 2
| 0
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[
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data/MD/5202/MD_1086845055867124744315202.json
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data/MD/6398/MD_6540187607300632091636398.json
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{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
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PO_6471537291672679180150291
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| 2025-04-16T21:51:00
|
DS_7jji22dy5hix_0
| 1
|
Quantum ESPRESSO
|
PBEsol
| null |
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_7533429050543032971083702
|
753342905054303297108370292646928075364554464738567502033397864193633390981568945550051401616567235955590470360909504441132092488618418972007648754080767
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[
true,
true,
true
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Se2Ta
|
Se2Ta
|
A2B
|
[
"Se",
"Ta"
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[
0.6666666666666666,
0.3333333333333333
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[
73,
34,
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| 0
|
[
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[
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] | null |
data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/9968/MD_1545839488713808189909968.json
| null |
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|
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_6485610332465047626266667
|
6485610332465047626266667533896705388578945325893177167830821262953390920290428226990057006810239002547966475256690781159566949924153606760418024924396709
| 2025-04-16T16:06:22
|
DS_7jji22dy5hix_0
| 1
|
Quantum ESPRESSO
|
PBEsol
| null |
[] |
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{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
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PO_6496741590571114827238127
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| 2025-04-16T21:44:51
|
DS_7jji22dy5hix_0
| 1
|
Quantum ESPRESSO
|
PBEsol
| null |
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_2665063713339686203159956
|
2665063713339686203159956568951963061962959531580213594813137216607993664491630179474769572261814134286878587519243606881623908160400336759849884761112699
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13343018456233633483961096042625472993816545200618217942072452621934799446830651440526621767086931684787637822561502869903522359099636036052911300474004206
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[
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[
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[
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22.400508290257083
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] |
[
true,
true,
true
] |
NbTe2
|
NbTe2
|
A2B
|
[
"Nb",
"Te"
] |
[
0.3333333333333333,
0.6666666666666666
] |
[
41,
52,
52
] | 3
| 2
| 0
|
[
0,
0,
0
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[
"jarvis_epc_data_2d_87"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/0481/MD_5313169235799840561250481.json
| null |
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|
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_1199862733007674392089364
|
11998627330076743920893646772207667273346667524933752611150003810107807677312685650370070859118584510854705827277535105043442228974873202212885909251015899
| 2025-04-16T17:58:24
|
DS_7jji22dy5hix_0
| 1
|
Quantum ESPRESSO
|
PBEsol
| null |
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_3909435110490826183325981
|
3909435110490826183325981799527693933061271523711568783841629154403975816307384860610644356508723338789538556740463738422265124135267587362643699578526169
|
8789416963186558641434414704857268582950512992273178673199818581608122367937684206886036444581750992871874182422950598335298487860547822406102181898936587
|
[
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[
0,
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19.14026574380634
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{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
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PO_6520335544314055370014361
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652033554431405537001436169076516433272091654268491298117381770018058017721854320784452167088250178200424996052556105703795613253330630463232925491023968
| 2025-04-16T15:45:03
|
DS_7jji22dy5hix_0
| 1
|
Quantum ESPRESSO
|
PBEsol
| null |
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_6039315258850320521147791
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6039315258850320521147791340878798141515263274834690231950821564384416258021060899176310896743842373491357077166062546443189325205605524169516503016297387
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[
true,
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true
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N2S2
|
NS
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AB
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[
"N",
"S"
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[
0.5,
0.5
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[
16,
16,
7,
7
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| 2
| 0
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[
0,
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[
"jarvis_epc_data_2d_76"
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data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/8133/MD_1307433719918445038648133.json
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|
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_1197308085517575484344635
|
11973080855175754843446355930825831695590102694223791528819916712146848186378467474090991242515082287092351660330302604030846904667214639348212158331898957
| 2025-04-16T16:56:48
|
DS_7jji22dy5hix_0
| 1
|
Quantum ESPRESSO
|
PBEsol
| null |
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_9101028675011700269656405
|
9101028675011700269656405032575051276062662215201259694301840152549930230620638408677684316519697421690767544223754035173605330403270659552575400796776534
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[
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[
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[
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[
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[
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[
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12.356351112932126
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[
0,
0,
8.916286124937576
]
] |
[
true,
true,
true
] |
Ni2Te2
|
NiTe
|
AB
|
[
"Ni",
"Te"
] |
[
0.5,
0.5
] |
[
28,
28,
52,
52
] | 4
| 2
| 0
|
[
0,
0,
0
] |
[
"jarvis_epc_data_2d_3"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/4747/MD_1244674723817345824524747.json
| null |
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PO_6556734316198832053446527
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| 2025-04-16T21:12:08
|
DS_7jji22dy5hix_0
| 1
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Quantum ESPRESSO
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PBEsol
| null |
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_1026936446075913257850991
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BaSi2
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BaSi2
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A2B
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[
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[
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data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/8223/MD_9128052885438925510498223.json
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"MD_9128052885438925510498223"}
|
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_1204420153476811108170819
|
12044201534768111081708194661497222059555588589492066453969311394214005459062371734670886141296396536609035439321031505453150709369739373303336630856955327
| 2025-04-16T16:41:55
|
DS_7jji22dy5hix_0
| 1
|
Quantum ESPRESSO
|
PBEsol
| null |
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_1328280769198973830438402
|
13282807691989738304384025216832916903019577347213171224682818455919717859516327453860885768799457956886120724638350375908233171604771976759682844291122163
|
7379533054716336442598031759708231125137143912217289063698107648037612614184355144542664840202104537640786825205647277384356659931945427187462411628656491
|
[
[
3.5530691568997583,
0,
0
],
[
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3.0770481512781473,
0
],
[
0,
0,
27.908243808472402
]
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[
[
0,
0,
13.9541219042362
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[
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[
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[
-1.9723495930378023e-16,
2.0513654341854326,
15.488730098353923
]
] |
[
true,
true,
true
] |
LiS2Sn2
|
LiS2Sn2
|
A2B2C
|
[
"Li",
"S",
"Sn"
] |
[
0.2,
0.4,
0.4
] |
[
3,
50,
50,
16,
16
] | 5
| 3
| 0
|
[
0,
0,
0
] |
[
"jarvis_epc_data_2d_38"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/5428/MD_3845305281937387730465428.json
| null |
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PO_1205099944693061543427660
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| 2025-04-16T21:29:37
|
DS_7jji22dy5hix_0
| 1
|
Quantum ESPRESSO
|
PBEsol
| null |
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_1622519017243610094747339
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1622519017243610094747339360014131682234181711254884121984148441274587782382879715862666607534305756324784912940978706573558137703276166133466577443129850
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[
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H2Cl2Sc2
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ClHSc
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ABC
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[
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data/MD/5202/MD_1086845055867124744315202.json
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data/MD/5416/MD_5456631236388373483375416.json
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|
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_1213905010955679689240337
|
1213905010955679689240337085322455702067747869418664573533691305539813524433236432799944753613376841490356776064731642101757185513804168134718858684454795
| 2025-04-16T16:24:43
|
DS_7jji22dy5hix_0
| 1
|
Quantum ESPRESSO
|
PBEsol
| null |
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_9924935707842294634735650
|
9924935707842294634735650039856899356906776745135738834227193324452628536236772928170671860103762052515217213566984147835813239303875115734470581067819824
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9839151755423864855260262699263012833342771678248322475906559437383955640708579918423001730188237368640593293299898901546475981666930632251492614805742349
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[
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0
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[
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[
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[
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1.8411305167325787,
1.9305723271757094
]
] |
[
true,
true,
true
] |
CrSb2
|
CrSb2
|
A2B
|
[
"Cr",
"Sb"
] |
[
0.3333333333333333,
0.6666666666666666
] |
[
24,
51,
51
] | 3
| 2
| 0
|
[
0,
0,
0
] |
[
"jarvis_epc_data_2d_149"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
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data/MD/8442/MD_8575030421816790121568442.json
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PO_6646348861561091733177050
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| 2025-04-16T21:56:50
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DS_7jji22dy5hix_0
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Quantum ESPRESSO
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PBEsol
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[] |
[] | null | null | null | null | null | null | null | null | null |
CO_1334275417590388624110386
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B3W2
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B3W2
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A3B2
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data/MD/5202/MD_1086845055867124744315202.json
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data/MD/9899/MD_6440765583470503034589899.json
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"6440765583470503034589899518660020630395731785949232858999211080254558389276230335528483380802787926480464293941879989428759866133649082917459333822746111", "id": "MD_6440765583470503034589899"}
|
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_1211359134443669971353695
|
12113591344436699713536951531100372310203564269394657421359112843262155969787022781307418883371076758165578067488390790316076114467328968395658710831890296
| 2025-04-16T15:44:09
|
DS_7jji22dy5hix_0
| 1
|
Quantum ESPRESSO
|
PBEsol
| null |
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_1127944555599824225105924
|
11279445555998242251059244997625290476097084854729699354711272024647618393357683471690662708393287130814524494143824203635052992147549311340178146215587259
|
7963538670112628406142801766648653887299160948715594690481872696557686260607511725416990919302791418794235372101674612046520824198829243577128381478166076
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data/MD/0542/MD_3365178405349686843800542.json
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PO_6771711884960764388453508
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| 2025-04-16T18:08:07
|
DS_7jji22dy5hix_0
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Quantum ESPRESSO
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PBEsol
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[] |
[] | null | null | null | null | null | null | null | null | null |
CO_4461407295407014509117187
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PtTe2
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PtTe2
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A2B
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[
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[
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data/MD/5202/MD_1086845055867124744315202.json
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data/MD/3597/MD_5812445785359819832693597.json
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|
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_1237289834734536810426594
|
12372898347345368104265948908036175152875475400288638699368042244280450232945266913735032986533101832837208538050697888724359912900344222498158514284757197
| 2025-04-16T16:51:20
|
DS_7jji22dy5hix_0
| 1
|
Quantum ESPRESSO
|
PBEsol
| null |
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_1133088810829532990476016
|
11330888108295329904760160599877006916407740490840177166010005312912447363567465539061233236946281946529376358542681289725977858794748339128367685428741122
|
4821201730236901248736280954854092408256592027017699609266047484311058584124857821029794153601753764554711512577144637228575389617114492354734431293163017
|
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PO_1244784496989924134486787
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| 2025-04-16T16:32:15
|
DS_7jji22dy5hix_0
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Quantum ESPRESSO
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PBEsol
| null |
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_1254856067745717262098778
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NbS2
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NbS2
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A2B
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[
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data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/1009/MD_1640965948459645424651009.json
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PO_7002325841439272402763220
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7002325841439272402763220306268935384168851617839757868343202746355613523525417194988942634737795804527511594695872679712577961013933290421624093019493156
| 2025-04-16T16:06:23
|
DS_7jji22dy5hix_0
| 1
|
Quantum ESPRESSO
|
PBEsol
| null |
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_1049154210523676457665432
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10491542105236764576654321438852580639961418007789157109946957951110968750662428039656447533892589440944541633570301890933691273471725409440625532882192087
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6993768207496120729312287399281247048658546256388515394305983790559423026837044892689793056682523041478014918995071585360002587577410144291825383950475635
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[
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[
true,
true,
true
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CAl4O
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Al4CO
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A4BC
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[
"Al",
"C",
"O"
] |
[
0.6666666666666666,
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[
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[
"jarvis_epc_data_2d_139"
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data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/0328/MD_9005165467683346821710328.json
| null |
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{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
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PO_1250989347398002864500576
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| 2025-04-16T18:58:19
|
DS_7jji22dy5hix_0
| 1
|
Quantum ESPRESSO
|
PBEsol
| null |
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_3883147651879406177235271
|
3883147651879406177235271091967738035890255154134601810577648831616063156121602206690513185556005109445909125718171224407315264824401233812727113917538936
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[
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[
true,
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BiSe2Tl2
|
BiSe2Tl2
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A2B2C
|
[
"Bi",
"Se",
"Tl"
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[
0.2,
0.4,
0.4
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[
81,
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34,
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[
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[
"jarvis_epc_data_2d_96"
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data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/2572/MD_7384928126167246840442572.json
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PO_7040080462878352998656635
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| 2025-04-16T18:26:42
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DS_7jji22dy5hix_0
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Quantum ESPRESSO
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PBEsol
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[] |
[] | null | null | null | null | null | null | null | null | null |
CO_1188411960888975566269617
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I2N2Ti2
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INTi
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ABC
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[
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data/MD/5202/MD_1086845055867124744315202.json
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data/MD/8255/MD_4729711779405271946748255.json
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{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
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PO_7129431591996357900666892
|
712943159199635790066689250183242413164541816264228689485040009573660436833585854511873978308107535253860247246194996918294284673557926238561154862603478
| 2025-04-16T17:36:02
|
DS_7jji22dy5hix_0
| 1
|
Quantum ESPRESSO
|
PBEsol
| null |
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_1279636368346878414635052
|
12796363683468784146350525626579440363473640321310172408876385628097167680907148222582408171553314445291170692456128069769214575317552872455945374568884080
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[
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23.757804344557165
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[
true,
true,
true
] |
NiTe2
|
NiTe2
|
A2B
|
[
"Ni",
"Te"
] |
[
0.3333333333333333,
0.6666666666666666
] |
[
28,
52,
52
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| 2
| 0
|
[
0,
0,
0
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[
"jarvis_epc_data_2d_103"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/5558/MD_8263515102063467999645558.json
| null |
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PO_7152103763061297613955938
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DS_7jji22dy5hix_0
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Quantum ESPRESSO
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PBEsol
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[] |
[] | null | null | null | null | null | null | null | null | null |
CO_7995809314557566896610036
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B13P2
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B13P2
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A13B2
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[
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data/MD/5202/MD_1086845055867124744315202.json
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data/MD/5816/MD_4612754553994912076925816.json
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|
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_1267666249996183568589461
|
12676662499961835685894618309823402670180469602447941268611235790537281352925911474572151687456541162497710596305953892012396090797651248880910111650913005
| 2025-04-16T17:13:47
|
DS_7jji22dy5hix_0
| 1
|
Quantum ESPRESSO
|
PBEsol
| null |
[] |
[] | null | null | null | null | null | null | null | null | null |
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PO_1269768052503242111141165
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| 2025-04-16T15:09:29
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DS_7jji22dy5hix_0
| 1
|
Quantum ESPRESSO
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PBEsol
| null |
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_7453718361717345659614288
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7453718361717345659614288280435765286074580765705943244840358961014933468120614901839483719336311444471705705436360963877484707011482469910931966902662869
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Cl2NSc2
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Cl2NSc2
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A2B2C
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[
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data/MD/5202/MD_1086845055867124744315202.json
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data/MD/2258/MD_1097333506130137346332258.json
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|
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_7274700878465279832503931
|
7274700878465279832503931632958011599241031237946966893367809853255585756726108572100846167354033116274098724132200865194912753517183052876740242945695143
| 2025-04-16T18:25:21
|
DS_7jji22dy5hix_0
| 1
|
Quantum ESPRESSO
|
PBEsol
| null |
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_4641962944482599692801057
|
4641962944482599692801057644579531145086512934470620714558664380172518553873653884143784791829847206173141701286154993391468817356664858119762393842517166
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2397019753777920768793104212501991871880599026100779514670707223179024353184772109132869993885988249779125723493747884131887262661809312210106018839704397
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[
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3.9600600939155552,
0,
0
],
[
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3.4295126418438606,
0
],
[
0,
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22.933185720194903
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] |
[
[
-2.198274947582155e-16,
2.2863417612292407,
21.38591899946955
],
[
1.9800300469577778,
1.14317088061462,
1.5472706896554136
],
[
0,
0,
0
]
] |
[
true,
true,
true
] |
AuTe2
|
AuTe2
|
A2B
|
[
"Au",
"Te"
] |
[
0.3333333333333333,
0.6666666666666666
] |
[
52,
52,
79
] | 3
| 2
| 0
|
[
0,
0,
0
] |
[
"jarvis_epc_data_2d_155"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/4523/MD_7683751200667399698384523.json
| null |
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{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_1280784452148486925022760
|
12807844521484869250227602634736400710374551144823949778014892445649102264249364103314298762606197995588126388031181186101901367455190994252518828729997478
| 2025-04-16T17:18:25
|
DS_7jji22dy5hix_0
| 1
|
Quantum ESPRESSO
|
PBEsol
| null |
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_6876746831748854440681640
|
6876746831748854440681640666691248342119511809866365112741146597485033662136609915476108742405043531206678487328173830527832389251242499808220409150185999
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[
true,
true,
true
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K2Te2Y
|
K2Te2Y
|
A2B2C
|
[
"K",
"Te",
"Y"
] |
[
0.4,
0.4,
0.2
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[
19,
19,
39,
52,
52
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| 3
| 0
|
[
0,
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[
"jarvis_epc_data_2d_17"
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data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/8959/MD_3174674429029662680738959.json
| null |
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{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_7395889063833124283119936
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7395889063833124283119936039049824176245191302001074179999297035631347988784080496407847498598220046880999268667220084127979583922303355031136185976847668
| 2025-04-16T20:40:51
|
DS_7jji22dy5hix_0
| 1
|
Quantum ESPRESSO
|
PBEsol
| null |
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_4579729303232991694950608
|
457972930323299169495060867927733988390706733601803969931921718592903281168930811664597504011959398159158059493450191698549398181717552436676826470018746
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[
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[
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[
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[
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] |
[
true,
true,
true
] |
CaN2Ru2
|
CaN2Ru2
|
A2B2C
|
[
"Ca",
"N",
"Ru"
] |
[
0.2,
0.4,
0.4
] |
[
20,
44,
44,
7,
7
] | 5
| 3
| 0
|
[
0,
0,
0
] |
[
"jarvis_epc_data_2d_90"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/4678/MD_6387674108225340487784678.json
| null |
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[5.4893, 5.4726, 5.5621, 5.7279, 5.9259, 6.1216, 6.313, 6.4979, 6.6729, 6.837]}, "jid": "JVASP-153103", "lamb": 12.3847, "press": "0 GPa", "spg_number": 12, "stability": "unstable", "wlog": 6.837, "hash": "6387674108225340487784678305745310798195183506292086393395245455094886023088131685105419922033320549935087469314241699096353400389436654278602209613225701", "id": "MD_6387674108225340487784678"}
|
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_7438863264728943673599205
|
7438863264728943673599205468489082249312915431876989382422979165996156925478907189588649537512795811150345857773455439399555429313070965998382776518398196
| 2025-04-16T18:59:11
|
DS_7jji22dy5hix_0
| 1
|
Quantum ESPRESSO
|
PBEsol
| null |
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_1264948413219289378696605
|
12649484132192893786966053574615597628018357103725745399775084111465693219910587841269236065663276270277209457306452968164349809643728911533488709455693220
|
8853155279068564479603344191231052263116502479268548010669283957694686851889176352785286070594135250054880435276861746668897731833857448632151434397589926
|
[
[
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0,
0
],
[
0,
3.4950212639737024,
0
],
[
0,
0,
26.345407688022412
]
] |
[
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[
0,
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[
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[
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16.478107894253984
],
[
1.7475106319868514,
0,
9.867295469955051
]
] |
[
true,
true,
true
] |
Hf2Se2Si2
|
HfSeSi
|
ABC
|
[
"Hf",
"Se",
"Si"
] |
[
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] |
[
72,
72,
14,
14,
34,
34
] | 6
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data/MD/5202/MD_1086845055867124744315202.json
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data/MD/7752/MD_3835473856109450661027752.json
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PO_1290369121182463675272371
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| 2025-04-16T18:42:23
|
DS_7jji22dy5hix_0
| 1
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Quantum ESPRESSO
|
PBEsol
| null |
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_4765463753334669970271556
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[
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Cl2Ti
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Cl2Ti
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A2B
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[
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[
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[
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data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/8258/MD_9267726327580891983178258.json
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"MD_9267726327580891983178258"}
|
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_1291383833978710532033251
|
12913838339787105320332515223921223264010088867495702314720980142753240261562285796817872312336286586267829003350163845721873208694280615670609413813397296
| 2025-04-16T18:14:48
|
DS_7jji22dy5hix_0
| 1
|
Quantum ESPRESSO
|
PBEsol
| null |
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_8887778542176052818436057
|
8887778542176052818436057892384113620751142251077246254200629694097677442584151637384940619312539880059141679459740116838662660203368958848658638557217513
|
7125077810853362633568184281697969580553758247127761866572697089104958881382169202579461653830391188478049367428766917253773409790162799343406175571850572
|
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{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_1292912914675954932449022
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12929129146759549324490229849253986276522800979645996352885583049209296248840903382032253402209159370619812747998994853011563749204050637061328324078955248
| 2025-04-16T17:35:02
|
DS_7jji22dy5hix_0
| 1
|
Quantum ESPRESSO
|
PBEsol
| null |
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_1093945520305602084077135
|
10939455203056020840771354941896745689292996554970593803430711492622045917122507870751580261623331553480227207524584452030024905146327926578774636960008619
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2887238177266933309909425578651635426895701122303818381641491459996363410053704626056949970053766712895709670036683961842855033583102111104947859195282365
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[
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[
true,
true,
true
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NaS4Sn2
|
NaS4Sn2
|
A4B2C
|
[
"Na",
"S",
"Sn"
] |
[
0.14285714285714285,
0.5714285714285714,
0.2857142857142857
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[
11,
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16
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[
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[
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data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/1109/MD_8652426848137637928141109.json
| null |
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"spg_number": 164, "stability": "stable", "wlog": 143.4119, "hash": "8652426848137637928141109843658489907932875583029835596458254508660399297740277132604832194897715857034653819824174693129026199085245038805006582178574128", "id": "MD_8652426848137637928141109"}
|
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_7478522416187182907187611
|
7478522416187182907187611636225893180534398272130967330763819433820891289241128853926363276535040264124428725985394993572333088165229174075517942758946029
| 2025-04-16T18:46:47
|
DS_7jji22dy5hix_0
| 1
|
Quantum ESPRESSO
|
PBEsol
| null |
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_7253819494399045277982726
|
7253819494399045277982726098707205319281095362222068698107219021868911476293887724390749400836728362778114007944962745365349994285760065868990796172541847
|
933413691403889499032266195834478755715673977439130465387735743440104057517859376112476344659081839782368424839360135143768570891836802229832088050993824
|
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[
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15.73195982340236
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{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
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PO_1295788840813738642422377
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1295788840813738642422377758777335386219161947950588058050643242630564412596303848827049899669980088819885870517003230942703384092635654914035165287547799
| 2025-04-16T18:24:30
|
DS_7jji22dy5hix_0
| 1
|
Quantum ESPRESSO
|
PBEsol
| null |
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_2828444307975295371047589
|
2828444307975295371047589889571823406698279808987647861313404838614847180576897443850537064164450859215782656236606618377668369859786822077707145861051356
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[
true,
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true
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H2Br4Zr4
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Br2HZr2
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A2B2C
|
[
"Br",
"H",
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[
0.4,
0.2,
0.4
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[
40,
40,
40,
40,
1,
1,
35,
35,
35,
35
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| 0
|
[
0,
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0
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[
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] | null |
data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/4413/MD_1275418303215056369494413.json
| null |
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{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
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PO_1296200977603548724296601
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1296200977603548724296601678550170508357461726619004006403232731496378393938384609642432686093689231349039448069923399364276338529669352711768925397017114
| 2025-04-16T20:10:06
|
DS_7jji22dy5hix_0
| 1
|
Quantum ESPRESSO
|
PBEsol
| null |
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_3660469225953206106350738
|
3660469225953206106350738879486398797022337018608126963396362954264786981191721706593684301320225383204523158880518737780100675999687545985165951529488982
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[
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Bi2In2
|
BiIn
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AB
|
[
"Bi",
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[
0.5,
0.5
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[
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[
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data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/0038/MD_9816769188667594215310038.json
| null |
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"MD_9816769188667594215310038"}
|
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_7513137396343182750920741
|
751313739634318275092074156811141797441172305825131031241356702800873684857391709575538443177708823018088940890824130955781106060854285893607361196122649
| 2025-04-16T15:42:40
|
DS_7jji22dy5hix_0
| 1
|
Quantum ESPRESSO
|
PBEsol
| null |
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_3003424395243766203219121
|
3003424395243766203219121757578237181222056089022199604027739069686738264112979447911874664292370373815008051884411080782455858779883343226624778342328236
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0
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[
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[
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[
1.7900539220854765,
1.0334881137799945,
9.851030759355952
]
] |
[
true,
true,
true
] |
CoTe2
|
CoTe2
|
A2B
|
[
"Co",
"Te"
] |
[
0.3333333333333333,
0.6666666666666666
] |
[
27,
52,
52
] | 3
| 2
| 0
|
[
0,
0,
0
] |
[
"jarvis_epc_data_2d_86"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/2388/MD_1844229651050588914932388.json
| null |
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36.0697, 36.9379, 37.784, 38.5515]}, "jid": "JVASP-77587", "lamb": 1.1877, "press": "0 GPa", "spg_number": 164, "stability": "unstable", "wlog": 38.5515, "hash": "1844229651050588914932388783617905420102706185726964978705370225192842845687589951365165521958464885504012031090753130100711652233900659180225107915626083", "id": "MD_1844229651050588914932388"}
|
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_7600300988636812722528660
|
7600300988636812722528660138220678351133393638843688014402053584517707740365918232574065560256299236279932940148143560644781430267370188409819530538568877
| 2025-04-16T18:40:35
|
DS_7jji22dy5hix_0
| 1
|
Quantum ESPRESSO
|
PBEsol
| null |
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_7758624864254887440274735
|
7758624864254887440274735385248457113356750264010616820795363089314711878115190937981716629128581851637803667669590833615266747804737754228634984816407565
|
11301980925686438902677197957895062365204709152579360017176733265579242708731772659158225447447449352581648695672950528266942531034997823470683082782916686
|
[
[
3.6203680815527868,
0,
0
],
[
0,
3.6203680815527868,
0
],
[
0,
0,
22.70170610079568
]
] |
[
[
0,
0,
0
],
[
1.8101840407763934,
1.8101840407763934,
0
],
[
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0,
1.3746042095113848
],
[
0,
1.8101840407763934,
21.327106258491987
]
] |
[
true,
true,
true
] |
Fe2Se2
|
FeSe
|
AB
|
[
"Fe",
"Se"
] |
[
0.5,
0.5
] |
[
26,
26,
34,
34
] | 4
| 2
| 0
|
[
0,
0,
0
] |
[
"jarvis_epc_data_2d_73"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/0267/MD_1060257022437922784840267.json
| null |
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|
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_1312241677922242629246837
|
13122416779222426292468370534872439438223036863055206083450862232314307867512364027563568536243755448194509848935587927550719374003701711718682411003384490
| 2025-04-16T15:41:55
|
DS_7jji22dy5hix_0
| 1
|
Quantum ESPRESSO
|
PBEsol
| null |
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_1315001713287478404578724
|
13150017132874784045787246748539755958699021100815445048430114320811348421627823956250381021172854127170943271720304441903654011901855537665701909907178651
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[
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[
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[
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[
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[
6.308465286946031,
2.021541262026516,
14.461640728064511
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] |
[
true,
true,
true
] |
Au2Cl2Te4
|
AuClTe2
|
A2BC
|
[
"Au",
"Cl",
"Te"
] |
[
0.25,
0.25,
0.5
] |
[
52,
52,
52,
52,
79,
79,
17,
17
] | 8
| 3
| 0
|
[
0,
0,
0
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[
"jarvis_epc_data_2d_50"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/9620/MD_9819143528157500549749620.json
| null |
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PO_7652095267535092555061115
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| 2025-04-16T17:10:51
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DS_7jji22dy5hix_0
| 1
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Quantum ESPRESSO
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PBEsol
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[] |
[] | null | null | null | null | null | null | null | null | null |
CO_3753305751175287587218037
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37533057511752875872180379359312411152073447636613573718936237127775172386279803675992387631822399140289989431791471665296183795413365012397737153161123
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[
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LiS4Ti2
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LiS4Ti2
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A4B2C
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[
"Li",
"S",
"Ti"
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[
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[
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[
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data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/8521/MD_1707050625560329606308521.json
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|
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_1315438363798818429997003
|
1315438363798818429997003060917714385413797017146753414307745846010997406792686859654864164684686152778087497046394651394492004249343613427088857508925651
| 2025-04-16T20:44:11
|
DS_7jji22dy5hix_0
| 1
|
Quantum ESPRESSO
|
PBEsol
| null |
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_1163304177588761189875877
|
11633041775887611898758778097166216527074147861290234598070791341059194146839550758636506959760362042794785963468224112403461193156873853999800642932568491
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[
true,
true,
true
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Be2Li2
|
BeLi
|
AB
|
[
"Be",
"Li"
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[
0.5,
0.5
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[
3,
3,
4,
4
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|
[
0,
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[
"jarvis_epc_data_2d_99"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/1065/MD_6017170268195247479491065.json
| null |
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|
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_7701051227966510631065216
|
7701051227966510631065216208717009143150979366981766740848476498172615500170960237523138703512305204744065524397092080303071316481100447653940595956429314
| 2025-04-16T21:13:40
|
DS_7jji22dy5hix_0
| 1
|
Quantum ESPRESSO
|
PBEsol
| null |
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_6098855292866999680627883
|
6098855292866999680627883924713342232443662709675848754968948351317089288746948951814850564356474410366922932169178839123902856128258272526329750630756078
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7753323799442078256305064164316541505459432853983375588073866225552767878276459189507602135871138536761203207062421085636884030966473762213960929651147413
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[
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4.653897322508139,
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[
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[
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13.784189227670716
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[
1.071091208925996,
2.3269486612540695,
11.747676699389888
]
] |
[
true,
true,
true
] |
Ca2Sn2
|
CaSn
|
AB
|
[
"Ca",
"Sn"
] |
[
0.5,
0.5
] |
[
20,
20,
50,
50
] | 4
| 2
| 0
|
[
0,
0,
0
] |
[
"jarvis_epc_data_2d_29"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/5005/MD_2559629092551515078365005.json
| null |
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{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_7707327297947911426950244
|
7707327297947911426950244075215972340304929410262064490043051050670008118446928379798091002397104028052454580533586514257595955196391608110243990388056873
| 2025-04-16T21:17:22
|
DS_7jji22dy5hix_0
| 1
|
Quantum ESPRESSO
|
PBEsol
| null |
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_8789418360170691961960225
|
8789418360170691961960225057249155869360869216780380561372497791888050937020546008137395157896559412055946821909551647598252988013890443695575061121680772
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[
true,
true,
true
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NbS2
|
NbS2
|
A2B
|
[
"Nb",
"S"
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[
0.3333333333333333,
0.6666666666666666
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[
41,
16,
16
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| 0
|
[
0,
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[
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data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/9510/MD_4093493845267162974689510.json
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{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
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PO_1319463230488596738119149
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| 2025-04-16T20:12:06
|
DS_7jji22dy5hix_0
| 1
|
Quantum ESPRESSO
|
PBEsol
| null |
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_1086953793027862593655078
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10869537930278625936550785385346997957291969234366025431302564303452106558510158564258109335178106076164830516535419273428561131567104347238895366173088552
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[
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Na2NbS2
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Na2NbS2
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A2B2C
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[
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[
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[
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data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/9789/MD_9243287971728455669919789.json
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"9243287971728455669919789543881585723675316264362608103252504818537807925168443116159054174359802002873288006358408170840615007221506722599234575501238619", "id": "MD_9243287971728455669919789"}
|
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_7743524831094835469470043
|
7743524831094835469470043251132685423893930504380927033328616148752831235924453882253154777549106495211732497741249038589226545245174112570471598043740818
| 2025-04-16T16:06:08
|
DS_7jji22dy5hix_0
| 1
|
Quantum ESPRESSO
|
PBEsol
| null |
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_3231010155206731805739194
|
3231010155206731805739194161843174601515118248489837996078627758329307882123695299123294053928325276007501366486083664577293174994179631807928583199367862
|
748963431620347731520704731136517713099272443373158778210872174040092534657797832685404990455875821760774256992344398479333197533984429002450409345606897
|
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|
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_7761833214028706754063672
|
7761833214028706754063672455050343882073993036071317946696468613071398765948719647534406839966655212308219996342507149060791199739664734600237122356786060
| 2025-04-16T21:30:02
|
DS_7jji22dy5hix_0
| 1
|
Quantum ESPRESSO
|
PBEsol
| null |
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_1105730573322127410971271
|
1105730573322127410971271864441852304969313892501468567094140940211474582095835917129179335911146495524120402668429536990395234167384305046171007442236219
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615859531819893585397102686616594813359690365231104906426795839435458948959297614289187971220277049812549430018091276847715717401693898850289757597912000
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[
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],
[
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25.589045434059
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[
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[
-2.137394984187614e-16,
2.2230228379598187,
2.559112539246059
]
] |
[
true,
true,
true
] |
Ni2SbTe2
|
Ni2SbTe2
|
A2B2C
|
[
"Ni",
"Sb",
"Te"
] |
[
0.4,
0.2,
0.4
] |
[
28,
28,
51,
52,
52
] | 5
| 3
| 0
|
[
0,
0,
0
] |
[
"jarvis_epc_data_2d_34"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/6675/MD_8579948301947284396976675.json
| null |
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| 2025-04-16T21:12:08
|
DS_7jji22dy5hix_0
| 1
|
Quantum ESPRESSO
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PBEsol
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[] |
[] | null | null | null | null | null | null | null | null | null |
CO_6079219381379022088939924
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[
true,
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true
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PbPt2
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PbPt2
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A2B
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[
"Pb",
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[
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[
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[
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data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/2509/MD_7569666051211140571532509.json
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{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
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PO_7863040079277307337899288
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| 2025-04-16T21:29:37
|
DS_7jji22dy5hix_0
| 1
|
Quantum ESPRESSO
|
PBEsol
| null |
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_3989817454133282356842275
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3989817454133282356842275444849549095470284193586440682650575384034583648469848575457506554632320734402929991597936004569034399186307185028872131609907375
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[
true,
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Bi2Pd
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Bi2Pd
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A2B
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[
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[
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[
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[
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data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/2620/MD_1194930414187470274832620.json
| null |
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{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_7903553101860882656403564
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7903553101860882656403564613958396583572824829053686254657681517028669706700604882420862011368269114714355206492266221026151210336673232814225353067291534
| 2025-04-16T16:49:26
|
DS_7jji22dy5hix_0
| 1
|
Quantum ESPRESSO
|
PBEsol
| null |
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_2231907563963352635384802
|
2231907563963352635384802817338018402113270976422104139702548939246931138505250541539022153092229162665801612125631010533851418768475461524456324428060811
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7553888025611497867500034427930174584101411039899201098761767503471170029329628487941191274162775016796239148448052427931446575364179969873202027074654552
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[
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[
true,
true,
true
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H3Ca2
|
Ca2H3
|
A3B2
|
[
"Ca",
"H"
] |
[
0.4,
0.6
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[
20,
20,
1,
1,
1
] | 5
| 2
| 0
|
[
0,
0,
0
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[
"jarvis_epc_data_2d_9"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/3448/MD_2590607479729114564453448.json
| null |
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DS_7jji22dy5hix_0
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PO_1431979572171417068952317
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DS_7jji22dy5hix_0
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Quantum ESPRESSO
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PBEsol
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CO_4774374336212180909717889
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A4BC
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data/MD/5202/MD_1086845055867124744315202.json
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data/MD/2439/MD_3885476666061547731452439.json
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[67.765, 71.5565, 75.5864, 79.2325, 82.4983, 84.6594, 85.8263, 86.5272, 86.8611, 86.7193]}, "jid": "JVASP-27780", "lamb": 0.7576, "press": "0 GPa", "spg_number": 10, "stability": "unstable", "wlog": 86.7193, "hash": "3885476666061547731452439754414590390274640428753988795839096798898377133350962874844643051763782769157152772809979299259586609918788395216364288006634404", "id": "MD_3885476666061547731452439"}
|
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_8050721393493347695653097
|
805072139349334769565309792969091416887305250832937146984468533329210277057051351062172058649716678820806170442188960256362826655803886272821282748495907
| 2025-04-16T16:56:41
|
DS_7jji22dy5hix_0
| 1
|
Quantum ESPRESSO
|
PBEsol
| null |
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_1315867006533900882759644
|
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