property_id string | property_hash string | last_modified timestamp[us] | dataset_id string | multiplicity int32 | software string | method string | energy float64 | atomic_forces list | cauchy_stress list | cauchy_stress_volume_normalized bool | electronic_band_gap float64 | electronic_band_gap_type string | formation_energy float64 | adsorption_energy float64 | atomization_energy float64 | max_force_norm float64 | mean_force_norm float64 | energy_above_hull float64 | configuration_id string | configuration_hash string | structure_hash string | cell list | positions list | pbc list | chemical_formula_hill string | chemical_formula_reduced string | chemical_formula_anonymous string | elements list | elements_ratios list | atomic_numbers list | nsites int32 | nelements int32 | nperiodic_dimensions int32 | dimension_types list | names list | labels list | property_metadata_path string | configuration_metadata_path string | hash string | configuration_metadata string | property_metadata string |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
PO_1053105146132768668912377 | 10531051461327686689123775257319016965733112284414803541510242664875704970570221903989831177808296921489114280636119172417253217251213219434139256734878477 | 2025-04-16T16:49:26 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 2.1069 | unknown | 0.09628 | null | null | null | null | null | CO_2255980493569796901065341 | 2255980493569796901065341801772055175829330311612746587493577195796058179802465970561657298296006550991179435298088940681587183882051000072876042116829002 | 4813564621637034091630323516843298817777081433765490204357818052661456124238360519783839804539600943969612462269154524301905126302343728836861068777286426 | [
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[
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9.55861341,
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[
0.08497033,
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[
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true,
true,
true
] | Al14Ga7In11O48 | Al14Ga7In11O48 | A48B14C11D7 | [
"Al",
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"In",
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... | 80 | 4 | 3 | [
1,
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"sg-206"
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PO_1014829899513716155313586 | 10148298995137161553135865261032482874140362006953968700930478166590723395091431959107667747503236543399894726165248876655270523543076260639617008406410490 | 2025-04-16T15:45:10 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.1888 | unknown | 0.10024 | null | null | null | null | null | CO_6891986618986150905038515 | 6891986618986150905038515133142104904818894247809737746251331543414258945797846140776151694952833696958978823827853130224740426881755626467379208299934587 | 6559576917166809715063537271856465180598914353121422698188806949410387818839983035875662916860539684651849838999773214223262677067983778448747901962729365 | [
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[
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[
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... | [
true,
true,
true
] | Al4In12O24 | AlIn3O6 | A6B3C | [
"Al",
"In",
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0.3,
0.6
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] | 40 | 3 | 3 | [
1,
1,
1
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"sg-33"
] | null | data/MD/0818/MD_8971123915224790780050818.json | null | null | null | {"input": {"band-gap": {"value": "tight"}}, "hash": "897112391522479078005081825423581428423727767536302739485007213427119013770078192004135667245475481965910082775139972640517966207403207876612736112382606", "id": "MD_8971123915224790780050818"} |
PO_1014829727948385130873998 | 10148297279483851308739982292019216299076155244914449580059205421535181496161337967403093734494850361990736595631072555510229942647217217244507534398607907 | 2025-04-16T17:08:25 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 2.1622 | unknown | 0.13532 | null | null | null | null | null | CO_1686699998839309149726263 | 1686699998839309149726263141643142804951367243884086081474151315201993804664957304291219141062465722042195974777956468812191850283812127874725492467672101 | 3932562035053068813597086569976929016837044848937486759923437180216052398565725366939028376529804830459947862371065625957531708222255992041643967037788002 | [
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[
0.04670071,
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[
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5.9956589
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[
3.24236979,
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... | [
true,
true,
true
] | Al15Ga10In7O48 | Al15Ga10In7O48 | A48B15C10D7 | [
"Al",
"Ga",
"In",
"O"
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0.1875,
0.125,
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... | 80 | 4 | 3 | [
1,
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] | [
"sg-194"
] | null | data/MD/0818/MD_8971123915224790780050818.json | null | null | null | {"input": {"band-gap": {"value": "tight"}}, "hash": "897112391522479078005081825423581428423727767536302739485007213427119013770078192004135667245475481965910082775139972640517966207403207876612736112382606", "id": "MD_8971123915224790780050818"} |
PO_1050661536140516260078065 | 10506615361405162600780652158984824050608591517475158911053309950012214258128801327509264585020922131781774570532937000969124473107042541491553185262416832 | 2025-04-16T21:31:28 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 5.2462 | unknown | 0.006 | null | null | null | null | null | CO_1059338011159463841888314 | 1059338011159463841888314153490325824921877774928407294838858293401872073242076733485001431587971529977989530155971725474450675577537537923243146031654550 | 2474117911067908984607292423522068327323458550845967460270521993230961892457920480278338724708220509478747770116861777310824981706680245301146995437063282 | [
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[
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[
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... | [
true,
true,
true
] | Al11GaO18 | Al11GaO18 | A18B11C | [
"Al",
"Ga",
"O"
] | [
0.36666666666666664,
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0.6
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] | 30 | 3 | 3 | [
1,
1,
1
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"sg-167"
] | null | data/MD/0818/MD_8971123915224790780050818.json | null | null | null | {"input": {"band-gap": {"value": "tight"}}, "hash": "897112391522479078005081825423581428423727767536302739485007213427119013770078192004135667245475481965910082775139972640517966207403207876612736112382606", "id": "MD_8971123915224790780050818"} |
PO_1052035861870875053187739 | 10520358618708750531877398287919120794886679937750639374493741976601313035709386580706490407336105497671916801847851425807818923158534242805502558365459305 | 2025-04-16T18:07:48 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.5379 | unknown | 0.04108 | null | null | null | null | null | CO_1269215723162107606495010 | 12692157231621076064950107230573479571737240517981555278169371345017838247832753285717886958297925526983549536710538591020436939794638724964433174648894707 | 1168584772700607289078745337765599285672886567313509138283754160031561004211509566291819778543757598586399852885550493520119830161343802901661788981697232 | [
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[
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[
3.29234344,
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... | [
true,
true,
true
] | Ga24In8O48 | Ga3InO6 | A6B3C | [
"Ga",
"In",
"O"
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0.3,
0.1,
0.6
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... | 80 | 3 | 3 | [
1,
1,
1
] | [
"sg-194"
] | null | data/MD/0818/MD_8971123915224790780050818.json | null | null | null | {"input": {"band-gap": {"value": "tight"}}, "hash": "897112391522479078005081825423581428423727767536302739485007213427119013770078192004135667245475481965910082775139972640517966207403207876612736112382606", "id": "MD_8971123915224790780050818"} |
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[
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[
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2.... | [
true,
true,
true
] | Al11Ga17In4O48 | Al11Ga17In4O48 | A48B17C11D4 | [
"Al",
"Ga",
"In",
"O"
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PO_4558469487110505200472418 | 4558469487110505200472418289181002241290247057468863558789486343654524732596918999837546262402663132622425155737788837566656087690178320208414958844744712 | 2025-04-16T16:32:22 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 2.0724 | unknown | 0.07072 | null | null | null | null | null | CO_3900506026029853072191740 | 3900506026029853072191740356373352295487045583310262468776329722310631936513044356800970818123367697615180518660982240060443972979282869422646897456108760 | 2860593628028338342300424467654555952230911290003511436458657616876047134523416246708799778437598082207549511325439871267176969977228355784948718200604070 | [
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[
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[
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[
0.14165007,
3.167322... | [
true,
true,
true
] | Al13Ga10In9O48 | Al13Ga10In9O48 | A48B13C10D9 | [
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1,
1,
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] | [
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[
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[
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... | [
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true,
true
] | Al9Ga7In16O48 | Al9Ga7In16O48 | A48B16C9D7 | [
"Al",
"Ga",
"In",
"O"
] | [
0.1125,
0.0875,
0.2,
0.6
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31,
31,
13,
49,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
... | 80 | 4 | 3 | [
1,
1,
1
] | [
"sg-33"
] | null | data/MD/0818/MD_8971123915224790780050818.json | null | null | null | {"input": {"band-gap": {"value": "tight"}}, "hash": "897112391522479078005081825423581428423727767536302739485007213427119013770078192004135667245475481965910082775139972640517966207403207876612736112382606", "id": "MD_8971123915224790780050818"} |
PO_1055092691151640708484477 | 10550926911516407084844773434711325241672234570025241032357156607765723604136951060913024685511916495808185843920984877163986855099401974146359116078572443 | 2025-04-16T16:30:40 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.9983 | unknown | 0.09364 | null | null | null | null | null | CO_7484805290062267328687479 | 7484805290062267328687479358694981841280492116528171373903934909419036383417070582117869354227977844362542443836268303023143275313882572775280140635555990 | 1465499266745947549607002610201837955644644815936531393565888855240383040090511381810384013014953892012749063698379935691731773513276045346988729972663005 | [
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[
0.11219728,
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[
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[
3.68009138,
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7.34119673
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[
1.58816043,
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... | [
true,
true,
true
] | Al8In8O24 | AlInO3 | A3BC | [
"Al",
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0.2,
0.2,
0.6
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8,
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8,
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8
] | 40 | 3 | 3 | [
1,
1,
1
] | [
"sg-33"
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PO_1055896303081167880553402 | 10558963030811678805534022494451563783247018404296182174204612814967372656635910729496686294220320842190140382867541001779098965950074629117974001451873514 | 2025-04-16T17:47:40 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.0982 | unknown | 0.1024 | null | null | null | null | null | CO_1000313964377076643901833 | 10003139643770766439018333806449229532381274379471342681093694808186467437414268028116246171237442005622885244970694101905663952212906732623635229468117598 | 12699943018225004632502228166196803532959987372113652990505843868690156184054582136453860893702113132769846590136725113641409186364426919349097070456287016 | [
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[
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[
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[
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[
0.26138863,
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5.04031776
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[
0.3528166,
3.16923189... | [
true,
true,
true
] | Al2Ga16In14O48 | AlGa8In7O24 | A24B8C7D | [
"Al",
"Ga",
"In",
"O"
] | [
0.025,
0.2,
0.175,
0.6
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... | 80 | 4 | 3 | [
1,
1,
1
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PO_1055902604520435295891982 | 10559026045204352958919828751249726583161117235040343324563228107085106024086385391894775804958546427622059913820320146541697865019367039337569243682662706 | 2025-04-17T18:37:27 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 3.1804 | unknown | 0.02836 | null | null | null | null | null | CO_8971189329167391797519182 | 8971189329167391797519182166526287712395107018025700782580499870166630261304752372193242900981535029455981870984705717158785142076226868526112434602680365 | 8775057702933028061000647037044250509730688545805759544362500694255395782017091535101757112294031524731184097386652966607737270097099615800251191942225509 | [
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[
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[
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13.458477
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[
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[
4.795348,
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11.601975
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[
-0.1... | [
true,
true,
true
] | Al8Ga16O36 | Al2Ga4O9 | A9B4C2 | [
"Al",
"Ga",
"O"
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0.13333333333333333,
0.26666666666666666,
0.6
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8,
8,
8,
8,
8,
8,
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8,
8,
8,
8,
8,... | 60 | 3 | 3 | [
1,
1,
1
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PO_1055467927182555791394447 | 10554679271825557913944476694888546136253911180692270765965585721963991203263562693111157066265174049891761801835651447972006542581645059035066773485796558 | 2025-04-16T21:12:08 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 2.6453 | unknown | 0.0794 | null | null | null | null | null | CO_1278603751935372088672464 | 12786037519353720886724647571999241341591668786740807510526177179865936033467399108087490995566250881891714853171389924529479363613368941535971543920817786 | 6539789432939382989873028636497363971667624187339354554640467184660029667818307812243823342424856784798873589380001364902101600284317870125851749494214783 | [
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[
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[
2.52748946,
1.50859429,
6.41493864
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[
2.52109751,
1.52257871,... | [
true,
true,
true
] | Al5Ga4In3O18 | Al5Ga4In3O18 | A18B5C4D3 | [
"Al",
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0.16666666666666666,
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0.1,
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8,
8,
8,
8,
8,
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8,
8,
8
] | 30 | 4 | 3 | [
1,
1,
1
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"sg-167"
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[
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7.59796965,
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[
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... | [
true,
true,
true
] | Al4In28O48 | AlIn7O12 | A12B7C | [
"Al",
"In",
"O"
] | [
0.05,
0.35,
0.6
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49,
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49,
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49,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
... | 80 | 3 | 3 | [
1,
1,
1
] | [
"sg-206"
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[
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[
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... | [
true,
true,
true
] | Al13Ga6In13O48 | Al13Ga6In13O48 | A48B13C13D6 | [
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"In",
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0.075,
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8,
8,
8,
8,
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8,
8,
8,
8,
... | 80 | 4 | 3 | [
1,
1,
1
] | [
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2.34163628
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[
6.9531741,
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... | [
true,
true,
true
] | Al26In6O48 | Al13In3O24 | A24B13C3 | [
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0.075,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
... | 80 | 3 | 3 | [
1,
1,
1
] | [
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[
9.254925,
1.460574,
2.301629
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[
4.167991,
1.418262,
2.165298
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[
4.936481,
-0.0354,
5.295641
],
[
1.613531,
-0.028821,
2.300435
],
[
-0.15532... | [
true,
true,
true
] | Al5Ga11O24 | Al5Ga11O24 | A24B11C5 | [
"Al",
"Ga",
"O"
] | [
0.125,
0.275,
0.6
] | [
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31,
13,
31,
31,
31,
13,
31,
31,
31,
13,
31,
31,
31,
13,
31,
8,
8,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 40 | 3 | 3 | [
1,
1,
1
] | [
"sg-227"
] | null | data/MD/0818/MD_8971123915224790780050818.json | null | null | null | {"input": {"band-gap": {"value": "tight"}}, "hash": "897112391522479078005081825423581428423727767536302739485007213427119013770078192004135667245475481965910082775139972640517966207403207876612736112382606", "id": "MD_8971123915224790780050818"} |
PO_1054057033441319195436101 | 10540570334413191954361011247287195522601916289907651613278599829018216978157037547703484065263789134285295286706412510173314982125923357069789966302242744 | 2025-04-16T16:33:01 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 3.2201 | unknown | 0.0444 | null | null | null | null | null | CO_1292515419607476195056281 | 12925154196074761950562819035460399772255679016630062970161368953847414091543659349896936601232789672745558618989229589364727218405211023554885973445315691 | 7682933356338159607468451004440008349901035104390942815952163424121676220484580229459963522409269058996862903302892830301951556669321973233078257791720687 | [
[
9.21342702,
0.04271093,
0.0009376
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[
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9.20899529,
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[
0.02394859,
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9.20770249
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] | [
[
6.9223005,
2.33911628,
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[
2.29327583,
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6.920508
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[
6.92022128,
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[
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[
2.30756529,
6.88419504,
2.28482478
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[
6.92159291,
2.33566687,
2... | [
true,
true,
true
] | Al15Ga17O48 | Al15Ga17O48 | A48B17C15 | [
"Al",
"Ga",
"O"
] | [
0.1875,
0.2125,
0.6
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31,
31,
31,
31,
31,
31,
13,
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31,
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8,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
... | 80 | 3 | 3 | [
1,
1,
1
] | [
"sg-206"
] | null | data/MD/0818/MD_8971123915224790780050818.json | null | null | null | {"input": {"band-gap": {"value": "tight"}}, "hash": "897112391522479078005081825423581428423727767536302739485007213427119013770078192004135667245475481965910082775139972640517966207403207876612736112382606", "id": "MD_8971123915224790780050818"} |
PO_1016188118473707777663054 | 10161881184737077776630544217234639251047358812546786167437131444794665396212239617661119536959279323441514762948208881207205422330082626032211864858426973 | 2025-04-16T16:50:04 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 2.0344 | unknown | 0.1026 | null | null | null | null | null | CO_2427992691021142167067426 | 2427992691021142167067426756644891296292984890715025536377242864107803000304193653553308328375508347760004676321161804634975524119794213692870681496296146 | 11944546196400815090709110571108095700165259445593297435702398554476760265803092845829731878055458152613948207963543536312251046937431099234543828061414181 | [
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[
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9.61941422,
0.01934779
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[
-0.05772355,
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9.63055482
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] | [
[
7.25969686,
2.34335601,
7.17451441
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[
2.30012132,
7.14892834,
7.27515412
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[
7.12451312,
7.2290968,
2.31299543
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[
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[
2.53788203,
7.13927884,
2.40259336
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[
7.16495116,
2.47144221,
2... | [
true,
true,
true
] | Al17In15O48 | Al17In15O48 | A48B17C15 | [
"Al",
"In",
"O"
] | [
0.2125,
0.1875,
0.6
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49,
13,
13,
49,
13,
13,
13,
13,
49,
49,
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49,
49,
49,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
... | 80 | 3 | 3 | [
1,
1,
1
] | [
"sg-206"
] | null | data/MD/0818/MD_8971123915224790780050818.json | null | null | null | {"input": {"band-gap": {"value": "tight"}}, "hash": "897112391522479078005081825423581428423727767536302739485007213427119013770078192004135667245475481965910082775139972640517966207403207876612736112382606", "id": "MD_8971123915224790780050818"} |
PO_1054768768240441005957130 | 10547687682404410059571307034638369302245443351330363929500026141079684581861235312038527819689026868154898388031911817651985873711638347420181542842004424 | 2025-04-16T20:12:06 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.6707 | unknown | 0.1186 | null | null | null | null | null | CO_6250736184745696523847177 | 6250736184745696523847177742925043307067716528575505164577183692957133503720855335453523090713550780715556664039981386064737139583664939332062461191834375 | 4337705060048900784318840388637738170388626319876890880834859805766522171789847416340090233084582744899654774656433888758277459489726570541440510165051262 | [
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[
0.09774935,
9.09630006,
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[
-0.27955859,
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9.81299937
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] | [
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0.9927039,
6.0031027,
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[
4.24316435,
2.98627827,
5.04192782
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[
1.62598491,
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[
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[
3.2079167,
1.18021023,
7.87120892
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[
1.57341352,
7.90725266,
... | [
true,
true,
true
] | Al7In9O24 | Al7In9O24 | A24B9C7 | [
"Al",
"In",
"O"
] | [
0.175,
0.225,
0.6
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13,
13,
13,
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49,
49,
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49,
49,
49,
49,
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49,
49,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 40 | 3 | 3 | [
1,
1,
1
] | [
"sg-33"
] | null | data/MD/0818/MD_8971123915224790780050818.json | null | null | null | {"input": {"band-gap": {"value": "tight"}}, "hash": "897112391522479078005081825423581428423727767536302739485007213427119013770078192004135667245475481965910082775139972640517966207403207876612736112382606", "id": "MD_8971123915224790780050818"} |
PO_1055143763900986953777309 | 10551437639009869537773090614878967915334685930045242284143191261754586266393065126790604150308206018380313781855343963724704317785927672396598818891877916 | 2025-04-16T15:45:59 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 4.375 | unknown | 0.04452 | null | null | null | null | null | CO_1555993166519895653835671 | 1555993166519895653835671416083751772939021415130438139464278921971663183582199037270713466594158507380673367856107862111327691937085407244640996907652711 | 12064246567827226199698138950006428208490413496299533637680286273988760063569858773942052598251340670890730575324841151058229302728756129457215005168259837 | [
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[
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[
0.09474299,
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6.85792043,
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[
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[
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6.78253907
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[
2.28627358,
6.76759853,
2.19221081
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[
6.79373759,
2.25307829,
... | [
true,
true,
true
] | Al29Ga2InO48 | Al29Ga2InO48 | A48B29C2D | [
"Al",
"Ga",
"In",
"O"
] | [
0.3625,
0.025,
0.0125,
0.6
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13,
13,
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13,
13,
13,
13,
13,
31,
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13,
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49,
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31,
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13,
13,
13,
13,
13,
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13,
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13,
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8,
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8,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
... | 80 | 4 | 3 | [
1,
1,
1
] | [
"sg-206"
] | null | data/MD/0818/MD_8971123915224790780050818.json | null | null | null | {"input": {"band-gap": {"value": "tight"}}, "hash": "897112391522479078005081825423581428423727767536302739485007213427119013770078192004135667245475481965910082775139972640517966207403207876612736112382606", "id": "MD_8971123915224790780050818"} |
PO_1055279466177830427323805 | 10552794661778304273238057708237577617341262135824520892505151061835683441269342195850948535759934924223415529917717201687200120893067619916842673634724295 | 2025-04-16T16:50:51 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 3.0754 | unknown | 0.04784 | null | null | null | null | null | CO_6280881440064163836797539 | 6280881440064163836797539065782455635552555421715677052885719955333507656931784645235109959250563850576347539307046538675051784536468592611836446909387874 | 8648726222768380574048728775639525679825829731798173064671822496524941969240658521640809897763912267881192143258352281710013807897704740370846855055728815 | [
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[
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0.001526
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[
0.016013,
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13.509089
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] | [
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0.002528,
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2.054864
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[
0.010361,
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[
0.013565,
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[
0.00561,
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[
2.502968,
1.458439,
6.369055
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[
2.511043,
1.460117,
13.290864
],
[
2.498272,
... | [
true,
true,
true
] | Al5Ga6InO18 | Al5Ga6InO18 | A18B6C5D | [
"Al",
"Ga",
"In",
"O"
] | [
0.16666666666666666,
0.2,
0.03333333333333333,
0.6
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31,
49,
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31,
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31,
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31,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 30 | 4 | 3 | [
1,
1,
1
] | [
"sg-167"
] | null | data/MD/0818/MD_8971123915224790780050818.json | null | null | null | {"input": {"band-gap": {"value": "tight"}}, "hash": "897112391522479078005081825423581428423727767536302739485007213427119013770078192004135667245475481965910082775139972640517966207403207876612736112382606", "id": "MD_8971123915224790780050818"} |
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[
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[
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10.597037,
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22.691721,
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4.412325
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[
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[
1... | [
true,
true,
true
] | Al26Ga6O48 | Al13Ga3O24 | A24B13C3 | [
"Al",
"Ga",
"O"
] | [
0.325,
0.075,
0.6
] | [
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31,
13,
13,
13,
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31,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
... | 80 | 3 | 3 | [
1,
1,
1
] | [
"sg-12"
] | null | data/MD/0818/MD_8971123915224790780050818.json | null | null | null | {"input": {"band-gap": {"value": "tight"}}, "hash": "897112391522479078005081825423581428423727767536302739485007213427119013770078192004135667245475481965910082775139972640517966207403207876612736112382606", "id": "MD_8971123915224790780050818"} |
PO_4566108097755580463541068 | 4566108097755580463541068173815158892654874785648127430820748688784149534356892477591222098752129172448703576186285562706704631700042846858682230885100190 | 2025-04-17T18:16:17 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 3.1771 | unknown | 0.03048 | null | null | null | null | null | CO_8163841206187407952065336 | 8163841206187407952065336835579440182562127622596927158081375125063319619960878264075856414539616392714564625441777155730959620957093574926216257829846893 | 12126633820556737315196449118942969103921489175768335855570891798460132206874621148018835782489001062489267633578636202285294605875022568406267464527049043 | [
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[
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4.29996696,
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[
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13.47684994
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] | [
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[
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[
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[
2.47596956,
1.45536948,
6.48412079
],
[
2.46896367,
1.4654855,... | [
true,
true,
true
] | Al4Ga8O18 | Al2Ga4O9 | A9B4C2 | [
"Al",
"Ga",
"O"
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0.13333333333333333,
0.26666666666666666,
0.6
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 30 | 3 | 3 | [
1,
1,
1
] | [
"sg-167"
] | null | data/MD/0818/MD_8971123915224790780050818.json | null | null | null | {"input": {"band-gap": {"value": "tight"}}, "hash": "897112391522479078005081825423581428423727767536302739485007213427119013770078192004135667245475481965910082775139972640517966207403207876612736112382606", "id": "MD_8971123915224790780050818"} |
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[
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[
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[
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2.80598916,
18.18010597
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[
3.26056865,
0.01688708,
6.04219036
],
[
3.27797736,
-0.00541092,... | [
true,
true,
true
] | Ga27In5O48 | Ga27In5O48 | A48B27C5 | [
"Ga",
"In",
"O"
] | [
0.3375,
0.0625,
0.6
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31,
49,
31,
49,
31,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
... | 80 | 3 | 3 | [
1,
1,
1
] | [
"sg-194"
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PO_4564279892902587645133189 | 4564279892902587645133189059685420316799845135725134599989592141778938466505527181993528843385827562987741489408670615725666222600638022336347391735284031 | 2025-04-16T18:57:59 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 2.6435 | unknown | 0.07736 | null | null | null | null | null | CO_1092739577835495846797318 | 10927395778354958467973185280043477333777432215764085090671119007867755762752885511617918665627259383715173340366881395886118665389181090729186425292628480 | 1968027609745861314825338666418413556878582705595069897102203094036153761945121196150215316726973950182115501272732911227961993700967119339289265647660500 | [
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[
0.03570135,
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[
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3.00270454,
... | [
true,
true,
true
] | Al19Ga6In7O48 | Al19Ga6In7O48 | A48B19C7D6 | [
"Al",
"Ga",
"In",
"O"
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0.2375,
0.075,
0.0875,
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8,
8,
8,
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... | 80 | 4 | 3 | [
1,
1,
1
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"sg-33"
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PO_4573227053205535930786460 | 4573227053205535930786460888060160834229380886401473030358391396119812771964745727174687063209697598388734915320953636088177637076680833249391893720424885 | 2025-04-16T21:13:01 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.254 | unknown | 0.07348 | null | null | null | null | null | CO_1004640121394099190547355 | 10046401213940991905473555887415353908612156435896788795328718140411733222110532459271606702602964620159005909382690563428884732439277404747972020838566508 | 9221595761163708576500745012028267941644485418771476880767650970201459401605382485712016217656247260992049968814000427201392791233729088726027359747571747 | [
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[
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[
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[
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3.120... | [
true,
true,
true
] | Al4Ga16In12O48 | AlGa4In3O12 | A12B4C3D | [
"Al",
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"In",
"O"
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0.05,
0.2,
0.15,
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8,
8,
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... | 80 | 4 | 3 | [
1,
1,
1
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PO_1057194532948782023008673 | 10571945329487820230086739301884732566132330259762989462711616739648109714835400737413217419671035991161190098682939550405927841295864573020036313980919993 | 2025-04-16T20:45:40 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.3577 | unknown | 0.1048 | null | null | null | null | null | CO_8902644406081854383085130 | 8902644406081854383085130097253627323691847722061578009444810663255863454696444154946358467541780839652691829231977202119844050351500789170128487663907960 | 4704550962638162708475086510500767685045792587426568925140104600783499145019113787634780594850805892229543965707577193019207978410028322900894608745849621 | [
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[
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[
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[
12.71... | [
true,
true,
true
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"Al",
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"In",
"O"
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0.1125,
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0.1625,
0.6
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8,
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... | 80 | 4 | 3 | [
1,
1,
1
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[
3.08945052,
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[
3.09379284,
-0.09564202... | [
true,
true,
true
] | Al10Ga11In11O48 | Al10Ga11In11O48 | A48B11C11D10 | [
"Al",
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"In",
"O"
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0.125,
0.1375,
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... | 80 | 4 | 3 | [
1,
1,
1
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[
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[
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[
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1.41171837,
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2.23884534
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[
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1.65086702,
... | [
true,
true,
true
] | Al14GaInO24 | Al14GaInO24 | A24B14CD | [
"Al",
"Ga",
"In",
"O"
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0.35,
0.025,
0.025,
0.6
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8,
8,
8,
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8,
8
] | 40 | 4 | 3 | [
1,
1,
1
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2.40301883,
6.97020571,
2.28749139
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[
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... | [
true,
true,
true
] | Al8Ga24O48 | AlGa3O6 | A6B3C | [
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0.3,
0.6
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8,
8,
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8,
8,
8,
... | 80 | 3 | 3 | [
1,
1,
1
] | [
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[
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0.90499606,
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[
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... | [
true,
true,
true
] | Al11Ga9In12O48 | Al11Ga9In12O48 | A48B12C11D9 | [
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0.1125,
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PO_1017851699102880728082863 | 10178516991028807280828638285851406752557296378366375010276370216337496694961438699047011728587026742354527573635981856341740456637960204479499666000046939 | 2025-04-16T17:39:39 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 3.1437 | unknown | 0.11236 | null | null | null | null | null | CO_9415789945111610780448632 | 9415789945111610780448632965553618181824963249926464135979808117809648176314677783561733242847220820719088296359444845950664102490856762838320396828557647 | 2384878236024251671055078272214512809034324317451658443292787869717828309413545084781795014236807744396041343946451398033385462617398453123940053942012051 | [
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[
0.02437161,
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[
3.11602058,
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true,
true,
true
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"Al",
"Ga",
"In",
"O"
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0.3125,
0.05,
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8,
8,
8,
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8,
8,
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1,
1,
1
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PO_1056182972049700758553127 | 10561829720497007585531271295299418478205175640467740248163209666186634093991431283697059698222901652513415647925182216237077132119069694671471947014228788 | 2025-04-17T18:37:27 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.5767 | unknown | 0.04508 | null | null | null | null | null | CO_1833488789451149501242784 | 1833488789451149501242784562892150452591945049087718404505132972370304733777992359026139687310555141413142504419462866816398279969987673476845119555842798 | 4991565167017443021229724037642385372420180060356912529921404861179556407571858673534733645358067626730817178898586096754017890055900851606522327481794053 | [
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[
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[
0.16681564,
3.160177... | [
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true,
true
] | Al7Ga11In14O48 | Al7Ga11In14O48 | A48B14C11D7 | [
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0.1375,
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... | 80 | 4 | 3 | [
1,
1,
1
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PO_4607337863342298906614281 | 4607337863342298906614281899450759339997309550190870720426758916181695679076481960777617914094982623124712856791562302197160515019267543838756618453523280 | 2025-04-16T21:52:07 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 3.5688 | unknown | 0.05932 | null | null | null | null | null | CO_2787671565316045228436154 | 2787671565316045228436154782922706254759427426414624911036558881611272576349251756974488759390393085513691270366793758641583096058854351862264490622600135 | 12387266817989906377514214327621265025070268638586117870672526735172509017186802488097358913558608472904751429593663681998254554550558374868817557038605928 | [
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[
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2.47407252,
1.44607488,
6.39295668
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[
2.46895434,
1.45499471... | [
true,
true,
true
] | Al9GaIn2O18 | Al9GaIn2O18 | A18B9C2D | [
"Al",
"Ga",
"In",
"O"
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0.3,
0.03333333333333333,
0.06666666666666667,
0.6
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8
] | 30 | 4 | 3 | [
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1
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[
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2.48974639
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[
1.62746967,
-0.006... | [
true,
true,
true
] | Al9Ga2In5O24 | Al9Ga2In5O24 | A24B9C5D2 | [
"Al",
"Ga",
"In",
"O"
] | [
0.225,
0.05,
0.125,
0.6
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] | 40 | 4 | 3 | [
1,
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[
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[
2.52238674,
1.48763444,
6.60921179
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[
2.50365181,
1.50863024... | [
true,
true,
true
] | Al7GaIn4O18 | Al7GaIn4O18 | A18B7C4D | [
"Al",
"Ga",
"In",
"O"
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0.23333333333333334,
0.03333333333333333,
0.13333333333333333,
0.6
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 30 | 4 | 3 | [
1,
1,
1
] | [
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[
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[
3.404937,
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17.686044
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[
1.38... | [
true,
true,
true
] | Al16In16O48 | AlInO3 | A3BC | [
"Al",
"In",
"O"
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0.2,
0.2,
0.6
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8,
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... | 80 | 3 | 3 | [
1,
1,
1
] | [
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[
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[
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... | [
true,
true,
true
] | Al26Ga5InO48 | Al26Ga5InO48 | A48B26C5D | [
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0.0125,
0.6
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
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1,
1
] | [
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[
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[
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1.... | [
true,
true,
true
] | Al16Ga7In9O48 | Al16Ga7In9O48 | A48B16C9D7 | [
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0.0875,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
... | 80 | 4 | 3 | [
1,
1,
1
] | [
"sg-33"
] | null | data/MD/0818/MD_8971123915224790780050818.json | null | null | null | {"input": {"band-gap": {"value": "tight"}}, "hash": "897112391522479078005081825423581428423727767536302739485007213427119013770078192004135667245475481965910082775139972640517966207403207876612736112382606", "id": "MD_8971123915224790780050818"} |
PO_4591208128086305442932728 | 4591208128086305442932728478334894074988313265741689568156452906110855865285538863045194753678398338040304812095409277559951715533838503121660856880576546 | 2025-04-16T17:57:37 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 0.8497 | unknown | 0.05932 | null | null | null | null | null | CO_3984241213555410655382642 | 3984241213555410655382642348263322565753095614130067731446864668930212946859350099281276905365307896580922033328196824975999006148032544156055516946172422 | 535250532706324112413379399690958882157746464650761916828656768994588112139337028469665284981367915439571476476768956342706232797189310401402757763111728 | [
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[
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3.03158031,
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[
0.00216905,
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12.35711153
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] | [
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[
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[
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[
-0.43814481,
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3.07108849
],
[
-0.43597912,
-0.030... | [
true,
true,
true
] | GaIn3O6 | GaIn3O6 | A6B3C | [
"Ga",
"In",
"O"
] | [
0.1,
0.3,
0.6
] | [
49,
49,
31,
49,
8,
8,
8,
8,
8,
8
] | 10 | 3 | 3 | [
1,
1,
1
] | [
"sg-194"
] | null | data/MD/0818/MD_8971123915224790780050818.json | null | null | null | {"input": {"band-gap": {"value": "tight"}}, "hash": "897112391522479078005081825423581428423727767536302739485007213427119013770078192004135667245475481965910082775139972640517966207403207876612736112382606", "id": "MD_8971123915224790780050818"} |
PO_1059542030292394333779962 | 10595420302923943337799624730981661363087840355300078568927385739345581083931270425334767147503003758459692241166171872638548265748036404457458668462834738 | 2025-04-16T18:45:06 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 0.9353 | unknown | 0.13488 | null | null | null | null | null | CO_4085413626315636299083099 | 4085413626315636299083099622907349791507999970847508974384267846268447731501476477822639393476686003336379955924482707560313276663155247624982339913582776 | 2442138931574294697623814339572604448019374076556629955977656780773589473944045347563401745168830197590147918375585211951981347439724031435026759042629530 | [
[
13.05070597,
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[
0.00735482,
3.29168045,
0.05653931
],
[
-1.46078999,
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6.18248157
]
] | [
[
11.34724049,
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1.09093077
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[
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4.8744964
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[
5.01185282,
1.51856769,
1.19372389
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[
6.73386411,
1.45632137,
4.98322423
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[
9.88715038,
1.48076179,
4.21218837
],
[
1.5535661,
1.51669194,
... | [
true,
true,
true
] | Al2In6O12 | AlIn3O6 | A6B3C | [
"Al",
"In",
"O"
] | [
0.1,
0.3,
0.6
] | [
49,
49,
49,
13,
13,
49,
49,
49,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 20 | 3 | 3 | [
1,
1,
1
] | [
"sg-12"
] | null | data/MD/0818/MD_8971123915224790780050818.json | null | null | null | {"input": {"band-gap": {"value": "tight"}}, "hash": "897112391522479078005081825423581428423727767536302739485007213427119013770078192004135667245475481965910082775139972640517966207403207876612736112382606", "id": "MD_8971123915224790780050818"} |
PO_1019085104331084207504491 | 10190851043310842075044918626495878006278957260592531222432714869684957719110065261005746348673577678333135170056764469985183766927709432740094234637108706 | 2025-04-16T20:10:41 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 2.2489 | unknown | 0.06156 | null | null | null | null | null | CO_1193242255185289217122156 | 1193242255185289217122156661088032012449217310071457990765340424272544895935222750968903605627061284591947093748813001675225815588729104724746385959466393 | 9199190334763193771827016293316494288389656551950579767948830834919174219669599095314678904194522313347833392794493781023791430126230361107840802029026761 | [
[
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[
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5.482506,
0.001949
],
[
0.029178,
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23.923172
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] | [
[
0.013328,
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[
0.026467,
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17.976837
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[
4.768144,
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[
4.770975,
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[
3.172877,
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5.961376
],
[
3.186443,
0.004724,
17.96106
],
[
1.597002,
... | [
true,
true,
true
] | Al6Ga26O48 | Al3Ga13O24 | A24B13C3 | [
"Al",
"Ga",
"O"
] | [
0.075,
0.325,
0.6
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31,
31,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
... | 80 | 3 | 3 | [
1,
1,
1
] | [
"sg-194"
] | null | data/MD/0818/MD_8971123915224790780050818.json | null | null | null | {"input": {"band-gap": {"value": "tight"}}, "hash": "897112391522479078005081825423581428423727767536302739485007213427119013770078192004135667245475481965910082775139972640517966207403207876612736112382606", "id": "MD_8971123915224790780050818"} |
PO_1018894826507647001486598 | 10188948265076470014865984476821204881954432178489770882192050210820975203546308322870415217850701741226469717482796423917951573854900397494375436743873984 | 2025-04-16T16:05:15 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 4.3239 | unknown | 0.0398 | null | null | null | null | null | CO_1173446468545174197790609 | 11734464685451741977906090515209673287633937521015471532784861091610049984894557493034155832404829902337338484788012012960070378422840744760507493578239795 | 2760211697372468757318562141396121053730314058263572099997782131954171087985685614347807756616334957794571457923088219306883497574080072927026943684803206 | [
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[
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[
0.00767909,
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] | [
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[
0.00497717,
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[
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0.00261201,
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4.77624847
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[
2.45035527,
1.41846041,
6.45181944
],
[
2.45433487,
1.41857309,
... | [
true,
true,
true
] | Al10GaInO18 | Al10GaInO18 | A18B10CD | [
"Al",
"Ga",
"In",
"O"
] | [
0.3333333333333333,
0.03333333333333333,
0.03333333333333333,
0.6
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31,
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49,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 30 | 4 | 3 | [
1,
1,
1
] | [
"sg-167"
] | null | data/MD/0818/MD_8971123915224790780050818.json | null | null | null | {"input": {"band-gap": {"value": "tight"}}, "hash": "897112391522479078005081825423581428423727767536302739485007213427119013770078192004135667245475481965910082775139972640517966207403207876612736112382606", "id": "MD_8971123915224790780050818"} |
PO_1018880249071377030193630 | 10188802490713770301936305085070679411283060716760669735566314492819908227023121748092364587817563396769931142528481938546816861603771327699925435343300132 | 2025-04-16T21:51:00 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.6391 | unknown | 0.08552 | null | null | null | null | null | CO_7086795008147447904347515 | 7086795008147447904347515444188206886960423445838090507724868960515837504978234051465274612142120640674523758853839712524692636114566230611728705701942363 | 4498828114178858711502730059817749780386997642578090214457344050315643108364291203415752758701619133045965163494572521920573524305907564642606595975470581 | [
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[
0.0164183,
9.08090752,
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],
[
0.08920623,
0.09290033,
9.70070695
]
] | [
[
1.67112678,
7.70053822,
6.54866013
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[
7.15385738,
7.68728744,
6.68359413
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[
3.69758608,
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[
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1.88585057
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[
1.00628688,
3.33697953,
1.70233084
],
[
6.27851436,
3.1327827,
... | [
true,
true,
true
] | Al8Ga11In13O48 | Al8Ga11In13O48 | A48B13C11D8 | [
"Al",
"Ga",
"In",
"O"
] | [
0.1,
0.1375,
0.1625,
0.6
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13,
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31,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
... | 80 | 4 | 3 | [
1,
1,
1
] | [
"sg-33"
] | null | data/MD/0818/MD_8971123915224790780050818.json | null | null | null | {"input": {"band-gap": {"value": "tight"}}, "hash": "897112391522479078005081825423581428423727767536302739485007213427119013770078192004135667245475481965910082775139972640517966207403207876612736112382606", "id": "MD_8971123915224790780050818"} |
PO_1019009503059972141876219 | 10190095030599721418762199685459963510818132418883393117475425360434152999942799336062873006995020656030746305488593096604840127949700279814330810527847895 | 2025-04-16T17:30:38 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 3.3241 | unknown | 0.04224 | null | null | null | null | null | CO_3642204428734620232514173 | 3642204428734620232514173053434210197075589843947015771546556183161791029066941110701752861214671178017840265223685796770921962172297269583808420407188712 | 12099967495448172923571455003322155281813567248461265972728018193447267523318930041384576199266557115844808244424350339143504846799601237514186045357549907 | [
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[
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9.19758154,
0.04309767
],
[
0.03417517,
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9.19476016
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] | [
[
6.89720995,
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[
2.3377792,
6.85055586,
6.90280813
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[
6.9085911,
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[
6.90733358,
6.85725409,
6.88487721
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[
2.32133321,
6.87872787,
2.3196817
],
[
6.87710405,
2.30403954,
2.... | [
true,
true,
true
] | Al16Ga16O48 | AlGaO3 | A3BC | [
"Al",
"Ga",
"O"
] | [
0.2,
0.2,
0.6
] | [
31,
13,
13,
13,
31,
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31,
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13,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
... | 80 | 3 | 3 | [
1,
1,
1
] | [
"sg-206"
] | null | data/MD/0818/MD_8971123915224790780050818.json | null | null | null | {"input": {"band-gap": {"value": "tight"}}, "hash": "897112391522479078005081825423581428423727767536302739485007213427119013770078192004135667245475481965910082775139972640517966207403207876612736112382606", "id": "MD_8971123915224790780050818"} |
PO_1019330413289564229189479 | 10193304132895642291894798560117893275002533823651523475674984200022557022700429251487132156857548414817559039153993737805409188477115020519380977430932251 | 2025-04-16T16:08:40 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.6148 | unknown | 0.07932 | null | null | null | null | null | CO_1303846149830875547127864 | 13038461498308755471278641657563049595676170519313207489424606164074950426131393289352715135027514996563658403403723224885866702024784791360679202243449531 | 6386761478509460134739508120083575977841700037424780189283090059118336323787679754802549536527559699302626630692665233178660756979150042443199468651921825 | [
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[
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4.59224511,
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],
[
-0.03600117,
0.05744976,
14.35711294
]
] | [
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2.02989702
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[
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9.08522471
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[
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12.20496595
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[
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5.31307529
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[
2.63431341,
1.59006986,
7.04545696
],
[
2.61703002,
1.61834998... | [
true,
true,
true
] | Al3GaIn8O18 | Al3GaIn8O18 | A18B8C3D | [
"Al",
"Ga",
"In",
"O"
] | [
0.1,
0.03333333333333333,
0.26666666666666666,
0.6
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49,
49,
49,
49,
13,
49,
49,
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49,
49,
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31,
8,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 30 | 4 | 3 | [
1,
1,
1
] | [
"sg-167"
] | null | data/MD/0818/MD_8971123915224790780050818.json | null | null | null | {"input": {"band-gap": {"value": "tight"}}, "hash": "897112391522479078005081825423581428423727767536302739485007213427119013770078192004135667245475481965910082775139972640517966207403207876612736112382606", "id": "MD_8971123915224790780050818"} |
PO_1018376574210739037027327 | 10183765742107390370273277029490922525688095877928192097045835901077941832621607214156644344160967267343992782441021553479952362695192042042829041789832605 | 2025-04-16T15:23:12 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 2.2461 | unknown | 0.07372 | null | null | null | null | null | CO_1413432152781190493239109 | 1413432152781190493239109115927478872569609220364981874215814758467438634089966219372662803272786723172364443681608099172311475613948479634520158663254531 | 3387953384247974874799603123708490701633229443310047173129760361931605110805826158296778525314823087804261491390642787018428148245783413551678059392520842 | [
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6.315281,
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],
[
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5.450779,
0.012212
],
[
0.038496,
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23.909756
]
] | [
[
0.026762,
0.000936,
5.991011
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[
0.030732,
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17.879343
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[
4.735338,
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[
4.750259,
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17.895894
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[
3.161361,
0.019305,
5.989784
],
[
3.200781,
0.00061,
17.862729
],
[
1.57628... | [
true,
true,
true
] | Al7Ga25O48 | Al7Ga25O48 | A48B25C7 | [
"Al",
"Ga",
"O"
] | [
0.0875,
0.3125,
0.6
] | [
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31,
31,
31,
31,
31,
31,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
... | 80 | 3 | 3 | [
1,
1,
1
] | [
"sg-194"
] | null | data/MD/0818/MD_8971123915224790780050818.json | null | null | null | {"input": {"band-gap": {"value": "tight"}}, "hash": "897112391522479078005081825423581428423727767536302739485007213427119013770078192004135667245475481965910082775139972640517966207403207876612736112382606", "id": "MD_8971123915224790780050818"} |
PO_1058183400560480778825853 | 10581834005604807788258535516616830809866123065775298145934463115034799705552336459663957187050750645190659007124222367344112245640821948102742502644623175 | 2025-04-16T21:27:46 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 3.5939 | unknown | 0.03964 | null | null | null | null | null | CO_9259441704155849080898730 | 9259441704155849080898730517446404104981049759001223379481075286840717686055598059710761376883038868613727033434311792706397711484013873363787240090514168 | 4686429783184184643576958152816501578171327855356892324377708064320407325936726889247097751743271811874803181642216925491868189289604240862872780739976427 | [
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[
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9.1526534,
0.04808228
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[
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[
6.82808572,
2.2737575,
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[
2.24542641,
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[
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[
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[
2.26113331,
6.8644572,
2.38099902
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[
6.86671243,
2.28805644,
... | [
true,
true,
true
] | Al19Ga13O48 | Al19Ga13O48 | A48B19C13 | [
"Al",
"Ga",
"O"
] | [
0.2375,
0.1625,
0.6
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31,
13,
13,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
... | 80 | 3 | 3 | [
1,
1,
1
] | [
"sg-206"
] | null | data/MD/0818/MD_8971123915224790780050818.json | null | null | null | {"input": {"band-gap": {"value": "tight"}}, "hash": "897112391522479078005081825423581428423727767536302739485007213427119013770078192004135667245475481965910082775139972640517966207403207876612736112382606", "id": "MD_8971123915224790780050818"} |
PO_1018579225735735813652429 | 10185792257357358136524290039067054881928746283096259064670387865720451564442468243858907213673932339371343294466685064702251397487887318405081347647155218 | 2025-04-16T18:08:07 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.1983 | unknown | 0.01172 | null | null | null | null | null | CO_2368802164160979498026184 | 2368802164160979498026184214529436473207740435182622729824548025015962373375679402630502109599648987172276663010803870331441496406774305357071296867580904 | 8792058797113631212957576933309914675406316894656795468569485911904738756058031694929475497806738952509667045331224409915640087984054631123761665860587435 | [
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[
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[
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[
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[
3.383195,
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6.109226
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[
3.355067,
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18.442179
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[
1.... | [
true,
true,
true
] | Ga14In18O48 | Ga7In9O24 | A24B9C7 | [
"Ga",
"In",
"O"
] | [
0.175,
0.225,
0.6
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49,
49,
49,
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49,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
... | 80 | 3 | 3 | [
1,
1,
1
] | [
"sg-194"
] | null | data/MD/0818/MD_8971123915224790780050818.json | null | null | null | {"input": {"band-gap": {"value": "tight"}}, "hash": "897112391522479078005081825423581428423727767536302739485007213427119013770078192004135667245475481965910082775139972640517966207403207876612736112382606", "id": "MD_8971123915224790780050818"} |
PO_1018690768451712946534083 | 10186907684517129465340833287444815895031951393981027777358275900508796064544203052266196333722608661959381634672813908792352550249071967651899095014585011 | 2025-04-16T19:56:37 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.817 | unknown | 0.13748 | null | null | null | null | null | CO_1148436701024700650934633 | 1148436701024700650934633249519113138613789193704898227682963070549364029254392385785267496771061116274103698324738635079726994541077343870364125663086535 | 2592638055635621468484037650640797765165316042821553426320837117570198856548449388907658340851177841652813546256559432102349186607926507433346453172377913 | [
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[
5.10442628,
2.93548815,
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[
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15.00733412
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] | [
[
8.021584,
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13.60930985
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[
5.92020237,
0.92771826,
0.28236646
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[
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1.38226304,
1.4529801
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[
2.8940376,
1.51016897,
1.98191816
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[
3.2354721,
-0.43840269,
5.17948612
],
[
0.64189741,
-0.33477445,
... | [
true,
true,
true
] | Al8Ga4In4O24 | Al2GaInO6 | A6B2CD | [
"Al",
"Ga",
"In",
"O"
] | [
0.2,
0.1,
0.1,
0.6
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49,
49,
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13,
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31,
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49,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 40 | 4 | 3 | [
1,
1,
1
] | [
"sg-227"
] | null | data/MD/0818/MD_8971123915224790780050818.json | null | null | null | {"input": {"band-gap": {"value": "tight"}}, "hash": "897112391522479078005081825423581428423727767536302739485007213427119013770078192004135667245475481965910082775139972640517966207403207876612736112382606", "id": "MD_8971123915224790780050818"} |
PO_4645376240845785613862472 | 4645376240845785613862472567404013277801810650088936226140234699089267813919634224280217304415750772556280622070511441943799162932427041763182695200400405 | 2025-04-16T16:07:44 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 2.1189 | unknown | 0.07936 | null | null | null | null | null | CO_4169766342408091686963441 | 416976634240809168696344181443805069071924190288374382052399857494568685176601319985960404317742078048846477996714479545428152288890050948900942056935127 | 1388444207186645427476461855337660111284106951446495734527080998376936033100167564515638226036985058387415024907302184796050820744665758927520165042639868 | [
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[
5.05052181,
2.85641113,
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[
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14.59095034
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] | [
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13.90752045
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[
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[
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[
4.56004631,
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2.21370397
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[
4.13504732,
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5.10368068
],
[
2.01996928,
0.18691511,... | [
true,
true,
true
] | Al8Ga4In4O24 | Al2GaInO6 | A6B2CD | [
"Al",
"Ga",
"In",
"O"
] | [
0.2,
0.1,
0.1,
0.6
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49,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 40 | 4 | 3 | [
1,
1,
1
] | [
"sg-227"
] | null | data/MD/0818/MD_8971123915224790780050818.json | null | null | null | {"input": {"band-gap": {"value": "tight"}}, "hash": "897112391522479078005081825423581428423727767536302739485007213427119013770078192004135667245475481965910082775139972640517966207403207876612736112382606", "id": "MD_8971123915224790780050818"} |
PO_4651339627369392519948596 | 465133962736939251994859647625391785666756248409885374992041466708311400126302783263411134283403843045818032581653367617137001725118950035247281973443700 | 2025-04-16T21:51:00 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 2.0763 | unknown | 0.05256 | null | null | null | null | null | CO_3445783761123741296979961 | 3445783761123741296979961963106270637076176723420610158931111917350988918626512014782179670390315293121491501215219817770959542348547750890297854479068391 | 12714012974272479541158249996235702904217855052606563144523094230271578558196446721021120914428911914285415987866405433648347052037417689306451209133524376 | [
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[
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8.84397956,
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[
0.02222954,
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9.392017
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] | [
[
1.60348223,
7.50653277,
6.59214635
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[
6.77909666,
7.47720401,
6.52833378
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[
3.46329186,
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[
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[
1.00634907,
3.16941893,
1.80396706
],
[
6.039027,
3.10071443,
... | [
true,
true,
true
] | Al9Ga18In5O48 | Al9Ga18In5O48 | A48B18C9D5 | [
"Al",
"Ga",
"In",
"O"
] | [
0.1125,
0.225,
0.0625,
0.6
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31,
31,
31,
49,
31,
31,
31,
31,
13,
49,
31,
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31,
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31,
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31,
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8,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
... | 80 | 4 | 3 | [
1,
1,
1
] | [
"sg-33"
] | null | data/MD/0818/MD_8971123915224790780050818.json | null | null | null | {"input": {"band-gap": {"value": "tight"}}, "hash": "897112391522479078005081825423581428423727767536302739485007213427119013770078192004135667245475481965910082775139972640517966207403207876612736112382606", "id": "MD_8971123915224790780050818"} |
PO_4655883389232885418660941 | 4655883389232885418660941259010071610809065489311541673779439712501168811086298267658472098184208143898576755805763863022988226818706840014613946470786757 | 2025-04-16T20:52:57 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.7188 | unknown | 0.00668 | null | null | null | null | null | CO_8733339677159039333902202 | 873333967715903933390220238058979247893509508857275074913965026172995104566406521055495418801296818064985350085469190491412393917160017800627975269062692 | 4509590839395159162288054464081009177382360832951421571471762941999298893101529563329102004037164272282519325322364909304478533354567052074962445978468150 | [
[
25.37839318,
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0.17997306
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[
0.0063086,
6.29654755,
0.01000853
],
[
-1.39299696,
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5.76662994
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] | [
[
11.33289837,
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1.30896052
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[
11.35944764,
3.1149701,
1.31247122
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[
23.88410868,
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1.3479067
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[
23.93019729,
3.17495376,
1.34714603
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[
0.04064178,
-0.07923195,
4.58147125
],
[
0.01499113,
3.19102183... | [
true,
true,
true
] | Ga27In5O48 | Ga27In5O48 | A48B27C5 | [
"Ga",
"In",
"O"
] | [
0.3375,
0.0625,
0.6
] | [
31,
31,
31,
31,
31,
31,
31,
31,
31,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
... | 80 | 3 | 3 | [
1,
1,
1
] | [
"sg-12"
] | null | data/MD/0818/MD_8971123915224790780050818.json | null | null | null | {"input": {"band-gap": {"value": "tight"}}, "hash": "897112391522479078005081825423581428423727767536302739485007213427119013770078192004135667245475481965910082775139972640517966207403207876612736112382606", "id": "MD_8971123915224790780050818"} |
PO_4663824188037425316868736 | 4663824188037425316868736914695890863864423352600060554123509279859401466097800250002808764873209241444174167296300311077764070015533108405456174038132172 | 2025-04-16T15:43:58 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.6942 | unknown | 0.14448 | null | null | null | null | null | CO_8072975234249805205811565 | 807297523424980520581156564181980681864771698728485773605917138807847493194083651383528160961021511288629231308299920180633711364064539839903200784927109 | 8885776674400959733829755996296029050723025612999360286187429804232427032809681781762155570365116164681750428257823744580643890040435675133288184173338511 | [
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[
5.25666141,
2.98783733,
0.05322379
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[
0.13149569,
0.17795924,
14.64387133
]
] | [
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0.35706431,
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13.10776142
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[
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[
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[
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[
7.50680764,
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12.54534782
],
[
2.35601983,
-0.3363... | [
true,
true,
true
] | Al11In5O24 | Al11In5O24 | A24B11C5 | [
"Al",
"In",
"O"
] | [
0.275,
0.125,
0.6
] | [
13,
13,
13,
13,
13,
49,
49,
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13,
13,
13,
49,
49,
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13,
13,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 40 | 3 | 3 | [
1,
1,
1
] | [
"sg-227"
] | null | data/MD/0818/MD_8971123915224790780050818.json | null | null | null | {"input": {"band-gap": {"value": "tight"}}, "hash": "897112391522479078005081825423581428423727767536302739485007213427119013770078192004135667245475481965910082775139972640517966207403207876612736112382606", "id": "MD_8971123915224790780050818"} |
PO_4635596797338461971617413 | 4635596797338461971617413288108497392183746749203527628209504638371537764777660548512206815827673670603767531772476077710103430787838561521844418236190077 | 2025-04-16T21:57:13 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.1384 | unknown | 0.15796 | null | null | null | null | null | CO_1581879500191491489545923 | 1581879500191491489545923030396242646901979083531206200369512532163472487221290038670668780394773380903088173131513189043812588508225099382168363788858124 | 3816156529755374934462353528286783258452130997162369153096434818727861644383252720633715392972771974553063301680239162078231876929893543512530991422442540 | [
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[
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5.71301602,
0.68628235
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[
0.09421319,
0.42591577,
15.22840258
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] | [
[
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15.74885307
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[
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2.94990239
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[
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[
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[
2.78107659,
1.77610614,
0.02665553
],
[
0.21322594,
0.15967742,
... | [
true,
true,
true
] | Al6Ga3In7O24 | Al6Ga3In7O24 | A24B7C6D3 | [
"Al",
"Ga",
"In",
"O"
] | [
0.15,
0.075,
0.175,
0.6
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49,
31,
13,
13,
13,
49,
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31,
49,
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49,
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49,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 40 | 4 | 3 | [
1,
1,
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PO_4641133377381055241679766 | 4641133377381055241679766412250538434921802900952665697229105545948215467948296380739263256944660855908012514789939131857640396489431077377739888380174778 | 2025-04-16T15:44:31 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.5102 | unknown | 0.134 | null | null | null | null | null | CO_1328637449239010232043711 | 13286374492390102320437119138041682019922279312809677630435443059912309387691404816747878387089261867007481193152982634727655645691676435812480964211641758 | 1854803654529785735691342173755629171268671767108948445390146266479911368684063996983624530508986856047699826109277328286022409818871661800692788159221871 | [
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[
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true,
true,
true
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[
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true,
true,
true
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[
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[
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... | [
true,
true,
true
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0.25,
0.6
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[
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... | [
true,
true,
true
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[
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2... | [
true,
true,
true
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1... | [
true,
true,
true
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[
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1.40322995,... | [
true,
true,
true
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[
3.757327... | [
true,
true,
true
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PO_1019526720111089152500707 | 10195267201110891525007077775663110161066369243454401277730336243431880285559615382511041794108266610735591031723274072500951540126068868129335222404895169 | 2025-04-16T21:57:13 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 0.8459 | unknown | 0.112 | null | null | null | null | null | CO_1063445098700681986098574 | 10634450987006819860985743887305670191137148199147239343524051415038676110294894238178845173579972711722003074975706635869201331018147263070374408424003591 | 2177478155276101822534777670856663495547579898662615297508877849688050589698278151299503587234046481957521252251934453961557771459369270183366968776858811 | [
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[
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... | [
true,
true,
true
] | Al4Ga9In3O24 | Al4Ga9In3O24 | A24B9C4D3 | [
"Al",
"Ga",
"In",
"O"
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0.1,
0.225,
0.075,
0.6
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8,
8,
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8,
8,
8,
8,
8
] | 40 | 4 | 3 | [
1,
1,
1
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"sg-227"
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2.45623409,
7.34469435,
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[
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... | [
true,
true,
true
] | Ga17In15O48 | Ga17In15O48 | A48B17C15 | [
"Ga",
"In",
"O"
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0.2125,
0.1875,
0.6
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49,
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8,
8,
8,
8,
... | 80 | 3 | 3 | [
1,
1,
1
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"sg-206"
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[
0.02115994,
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[
6.22784342,
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... | [
true,
true,
true
] | Al15Ga11In6O48 | Al15Ga11In6O48 | A48B15C11D6 | [
"Al",
"Ga",
"In",
"O"
] | [
0.1875,
0.1375,
0.075,
0.6
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8,
8,
8,
8,
... | 80 | 4 | 3 | [
1,
1,
1
] | [
"sg-33"
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PO_1060330126199159603866184 | 10603301261991596038661843002477206838003593707381299347552027829244815495925160205378489201061065451818719554479665289100853287544013331478818555511459258 | 2025-04-16T16:09:32 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 2.5762 | unknown | 0.0728 | null | null | null | null | null | CO_5240414534215682331722671 | 5240414534215682331722671578245835355354487215258745987686054085529125013127303772572878055724584096411340025209627989860267511533636270583167509544062438 | 6484386091956178112217473654488005105141366193853329242243909562994257314153785588708527685517292298096058033299723503062339312265138709615306931165935278 | [
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[
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[
5.90186272,
2.93393858,
... | [
true,
true,
true
] | Al20Ga4In8O48 | Al5GaIn2O12 | A12B5C2D | [
"Al",
"Ga",
"In",
"O"
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0.25,
0.05,
0.1,
0.6
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8,
8,
8,
8,
8,
8,
8,
8,
... | 80 | 4 | 3 | [
1,
1,
1
] | [
"sg-33"
] | null | data/MD/0818/MD_8971123915224790780050818.json | null | null | null | {"input": {"band-gap": {"value": "tight"}}, "hash": "897112391522479078005081825423581428423727767536302739485007213427119013770078192004135667245475481965910082775139972640517966207403207876612736112382606", "id": "MD_8971123915224790780050818"} |
PO_1060500362980096710003724 | 10605003629800967100037244848948282782608455208142065117258019030968001373598302944830185559514502598672446599903576826397944471500394160570466939699835847 | 2025-04-16T17:45:43 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 3.4215 | unknown | 0.03744 | null | null | null | null | null | CO_3499172486193890324425661 | 3499172486193890324425661920099309694844665138212585047068103032595457009451281725954420643257007533704071074674604484050684503140794900935243117225826180 | 3684564349415578075359969953782981952830157975244583532081902099241896623810880584341623008124195614477081335525898478840249310025690002006820612390628833 | [
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[
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[
2.284124,
6.86010663,
2.29532848
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[
6.94404269,
2.32211472,
... | [
true,
true,
true
] | Al16Ga16O48 | AlGaO3 | A3BC | [
"Al",
"Ga",
"O"
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0.2,
0.2,
0.6
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
... | 80 | 3 | 3 | [
1,
1,
1
] | [
"sg-206"
] | null | data/MD/0818/MD_8971123915224790780050818.json | null | null | null | {"input": {"band-gap": {"value": "tight"}}, "hash": "897112391522479078005081825423581428423727767536302739485007213427119013770078192004135667245475481965910082775139972640517966207403207876612736112382606", "id": "MD_8971123915224790780050818"} |
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[
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11.41228421,
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[
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[
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23.79381449,
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[
0.00977193,
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4.47629817
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[
0.03242361,
3.0900973... | [
true,
true,
true
] | Al16Ga7In9O48 | Al16Ga7In9O48 | A48B16C9D7 | [
"Al",
"Ga",
"In",
"O"
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0.2,
0.0875,
0.1125,
0.6
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31,
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8,
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8,
8,
8,
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8,
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8,
8,
8,
8,
... | 80 | 4 | 3 | [
1,
1,
1
] | [
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] | null | data/MD/0818/MD_8971123915224790780050818.json | null | null | null | {"input": {"band-gap": {"value": "tight"}}, "hash": "897112391522479078005081825423581428423727767536302739485007213427119013770078192004135667245475481965910082775139972640517966207403207876612736112382606", "id": "MD_8971123915224790780050818"} |
PO_1060291833891921364556544 | 10602918338919213645565442439666544409759571195755397159224137207286418342324840609953117734429368097364060752439145899709968486106397361965444529120873845 | 2025-04-16T20:14:25 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 2.0003 | unknown | 0.05716 | null | null | null | null | null | CO_9834361996788379328105264 | 9834361996788379328105264194508640998471481977344027730773512768835057299494292041741650733556712935547018616041793459510412819266216962403912687061567315 | 8882157171753836350949909995711771942020532445119177537520139624546630600651042107823540797029871738427854870594967282326144184472997854034284967662948502 | [
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[
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2.52634221
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[
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2.38017381,
2... | [
true,
true,
true
] | Al4Ga23In5O48 | Al4Ga23In5O48 | A48B23C5D4 | [
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"Ga",
"In",
"O"
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0.05,
0.2875,
0.0625,
0.6
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8,
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8,
8,
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8,
8,
8,
8,
8,
8,
... | 80 | 4 | 3 | [
1,
1,
1
] | [
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] | null | data/MD/0818/MD_8971123915224790780050818.json | null | null | null | {"input": {"band-gap": {"value": "tight"}}, "hash": "897112391522479078005081825423581428423727767536302739485007213427119013770078192004135667245475481965910082775139972640517966207403207876612736112382606", "id": "MD_8971123915224790780050818"} |
PO_4666025931477348090129585 | 4666025931477348090129585374656843929963542173713332531825080719772301948936775403254345917418979397074265256172041118418877831734509531068261706710228109 | 2025-04-16T20:32:46 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 2.0916 | unknown | 0.05856 | null | null | null | null | null | CO_1080287248360648771566202 | 10802872483606487715662021733788895123508909048753130572560267691255836133560741509470842979439165385313120003839056450192702759399162994753802160945504464 | 10613664645434686105039422277400986936955845179847954182056429073605024485727810809395307284246024361436393836127049827801146630999525712589329224665555830 | [
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[
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10.96325886,
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[
10.94604732,
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[
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[
0.04881452,
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4.66243445
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[
0.06000535,
3.08416298,... | [
true,
true,
true
] | Al13Ga12In7O48 | Al13Ga12In7O48 | A48B13C12D7 | [
"Al",
"Ga",
"In",
"O"
] | [
0.1625,
0.15,
0.0875,
0.6
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13,
31,
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31,
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31,
31,
49,
49,
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31,
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31,
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49,
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31,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
... | 80 | 4 | 3 | [
1,
1,
1
] | [
"sg-12"
] | null | data/MD/0818/MD_8971123915224790780050818.json | null | null | null | {"input": {"band-gap": {"value": "tight"}}, "hash": "897112391522479078005081825423581428423727767536302739485007213427119013770078192004135667245475481965910082775139972640517966207403207876612736112382606", "id": "MD_8971123915224790780050818"} |
PO_4658838870870127928728331 | 4658838870870127928728331362751569798623182855281089547818123620862388732799540490586695246885723584887688612663335136292431682242534636773868796473465892 | 2025-04-16T20:16:22 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 2.6979 | unknown | 0.01764 | null | null | null | null | null | CO_1006562876406480592361239 | 10065628764064805923612390144666307043455871378145031692385674540391567130741879446742351385610251283299059374778240326245156621175563096540281078877464285 | 1357872880723809302299513750756354366521628688799487654687021254247961893467157001854841907303593410343481366816536898814849748688762919543337515691349088 | [
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[
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3.03239466,
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[
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10.97161903,
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[
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[
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[
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[
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1.51359873,
3.88353403
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[
1.51125173,
1.51195647,
... | [
true,
true,
true
] | Al3Ga5O12 | Al3Ga5O12 | A12B5C3 | [
"Al",
"Ga",
"O"
] | [
0.15,
0.25,
0.6
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31,
13,
31,
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31,
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31,
31,
8,
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8,
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8,
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8,
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8,
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8
] | 20 | 3 | 3 | [
1,
1,
1
] | [
"sg-12"
] | null | data/MD/0818/MD_8971123915224790780050818.json | null | null | null | {"input": {"band-gap": {"value": "tight"}}, "hash": "897112391522479078005081825423581428423727767536302739485007213427119013770078192004135667245475481965910082775139972640517966207403207876612736112382606", "id": "MD_8971123915224790780050818"} |
PO_4665532300095771975924272 | 4665532300095771975924272401806417472310116183050898755181774022542738079159280889253758425171436823996295401424982718224784614774012775639564892810966434 | 2025-04-16T15:43:53 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 3.8005 | unknown | 0.02364 | null | null | null | null | null | CO_1259548921365172623130900 | 12595489213651726231309003932918589517782295669393541057552889465804588270101694466074515955076603843402860977167414295727748263424134706917803276135832187 | 1370437900562607990553347483031711522929986348941323298591807440821596770554990945918039932500346153796858542415144871398416381910012400605113204087399235 | [
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[
0.018658,
8.506092,
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[
0.014502,
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9.133464
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] | [
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[
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[
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[
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[
0.925831,
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[
5.809965,
2.924201,
1.732749
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[
4.116485,
... | [
true,
true,
true
] | Al24Ga8O48 | Al3GaO6 | A6B3C | [
"Al",
"Ga",
"O"
] | [
0.3,
0.1,
0.6
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31,
13,
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8,
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8,
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8,
8,
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8,
... | 80 | 3 | 3 | [
1,
1,
1
] | [
"sg-33"
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PO_4659679653342750701104768 | 4659679653342750701104768159198719176449344601325996800864741657235607774255609181888465189611416725273335709171460357841506598346834787845935700762757154 | 2025-04-16T16:43:28 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 3.2013 | unknown | 0.06552 | null | null | null | null | null | CO_1280170348619772009378319 | 12801703486197720093783193690681332174330453825825582705182122741235183329715841845132042282484400826225755441580434745061661325408185358841106144481590515 | 8938838854479875502548532997103306126847860479627341067037300424014568474621330867532878759239499151004854961126722964209712607859258674166371157418940784 | [
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[
0.0097499,
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[
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[
4.18571169,
1.30083456,
7.66802304
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[
0.85938256,
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... | [
true,
true,
true
] | Al12In4O24 | Al3InO6 | A6B3C | [
"Al",
"In",
"O"
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0.3,
0.1,
0.6
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8,
8,
8,
8,
8,
8,
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8,
8,
8,
8,
8
] | 40 | 3 | 3 | [
1,
1,
1
] | [
"sg-33"
] | null | data/MD/0818/MD_8971123915224790780050818.json | null | null | null | {"input": {"band-gap": {"value": "tight"}}, "hash": "897112391522479078005081825423581428423727767536302739485007213427119013770078192004135667245475481965910082775139972640517966207403207876612736112382606", "id": "MD_8971123915224790780050818"} |
PO_4667513887784892629414675 | 4667513887784892629414675404418595291639475658430284470715682545536428306687805379983159749591817032219590480845463782198834962536139209469724527901674671 | 2025-04-16T21:28:46 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.7088 | unknown | 0.07204 | null | null | null | null | null | CO_9767079648406474971374626 | 9767079648406474971374626883647669256618294907711704852506524401140966380944664756074206575774160235281791934310203660964824824359513471632010122814078229 | 4934857372834901265800958988636790676043890407626510534739728874296400531150702388133181470100004621611942260294312034146000926677629706996346203563291957 | [
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[
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[
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[
0.07061677,
3.08877564... | [
true,
true,
true
] | Al11Ga11In10O48 | Al11Ga11In10O48 | A48B11C11D10 | [
"Al",
"Ga",
"In",
"O"
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0.1375,
0.1375,
0.125,
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8,
8,
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... | 80 | 4 | 3 | [
1,
1,
1
] | [
"sg-12"
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[
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[
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[
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2.46221447
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[
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... | [
true,
true,
true
] | Ga5In27O48 | Ga5In27O48 | A48B27C5 | [
"Ga",
"In",
"O"
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0.0625,
0.3375,
0.6
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31,
49,
49,
49,
49,
49,
49,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
... | 80 | 3 | 3 | [
1,
1,
1
] | [
"sg-206"
] | null | data/MD/0818/MD_8971123915224790780050818.json | null | null | null | {"input": {"band-gap": {"value": "tight"}}, "hash": "897112391522479078005081825423581428423727767536302739485007213427119013770078192004135667245475481965910082775139972640517966207403207876612736112382606", "id": "MD_8971123915224790780050818"} |
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[
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[
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... | [
true,
true,
true
] | Al25Ga7O48 | Al25Ga7O48 | A48B25C7 | [
"Al",
"Ga",
"O"
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0.0875,
0.6
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8,
8,
8,
8,
8,
8,
8,
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8,
... | 80 | 3 | 3 | [
1,
1,
1
] | [
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[
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11.05855213,
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[
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3.1179902,... | [
true,
true,
true
] | Al10Ga18In4O48 | Al5Ga9In2O24 | A24B9C5D2 | [
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8,
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... | 80 | 4 | 3 | [
1,
1,
1
] | [
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1... | [
true,
true,
true
] | Al16Ga6In10O48 | Al8Ga3In5O24 | A24B8C5D3 | [
"Al",
"Ga",
"In",
"O"
] | [
0.2,
0.075,
0.125,
0.6
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13,
13,
49,
49,
31,
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8,
8,
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8,
8,
8,
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8,
8,
8,
8,
... | 80 | 4 | 3 | [
1,
1,
1
] | [
"sg-33"
] | null | data/MD/0818/MD_8971123915224790780050818.json | null | null | null | {"input": {"band-gap": {"value": "tight"}}, "hash": "897112391522479078005081825423581428423727767536302739485007213427119013770078192004135667245475481965910082775139972640517966207403207876612736112382606", "id": "MD_8971123915224790780050818"} |
PO_4672562944660630103834763 | 4672562944660630103834763247641563126974109627682115270674341370849472737546224665858237779495728703155568017216142973209540029749878364381645647699344295 | 2025-04-16T18:36:58 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 0.9564 | unknown | 0.00868 | null | null | null | null | null | CO_1833838274452882042314500 | 1833838274452882042314500333637131414367609642460347890088724407680766399025073316244641711850535015673538720826776512803475490337675444483047210153925924 | 10611420939259494682204130287497065177963949730697482783227090909849592984115978463229628360064482915140454820641584052316495238293499397648508986787308780 | [
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0.01375804,
10.24961348,
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[
-0.00922679,
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10.2495582
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] | [
[
7.68062139,
2.55349576,
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[
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[
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[
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[
2.56726505,
7.68242671,
2.55370782
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[
7.68580219,
2.55803106,
... | [
true,
true,
true
] | AlIn31O48 | AlIn31O48 | A48B31C | [
"Al",
"In",
"O"
] | [
0.0125,
0.3875,
0.6
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
... | 80 | 3 | 3 | [
1,
1,
1
] | [
"sg-206"
] | null | data/MD/0818/MD_8971123915224790780050818.json | null | null | null | {"input": {"band-gap": {"value": "tight"}}, "hash": "897112391522479078005081825423581428423727767536302739485007213427119013770078192004135667245475481965910082775139972640517966207403207876612736112382606", "id": "MD_8971123915224790780050818"} |
PO_4678956417486257762756862 | 4678956417486257762756862217158991792965684794515421593027410350462638868178741697420924937855175530880224438238281663905225501364964315859164507636651201 | 2025-04-16T15:44:43 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.5896 | unknown | 0.05532 | null | null | null | null | null | CO_1133336930480355931399207 | 11333369304803559313992074059720600432255302010825183097634574199713409133090732576351955601994190281242165711744978710426306539879091610437214726543402965 | 9280889982229595136365280793785978756293909800270534881424111535481988554661075032756873409231393226586256065532016038383380729208382862715495063525305748 | [
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[
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6.4482811,
0.00915204
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[
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] | [
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11.47723699,
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[
11.5305296,
3.24348072,
1.13263023
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[
24.57917611,
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[
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[
0.18058629,
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4.66432395
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[
0.18502879,
3.17066849,... | [
true,
true,
true
] | Al9Ga8In15O48 | Al9Ga8In15O48 | A48B15C9D8 | [
"Al",
"Ga",
"In",
"O"
] | [
0.1125,
0.1,
0.1875,
0.6
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
... | 80 | 4 | 3 | [
1,
1,
1
] | [
"sg-12"
] | null | data/MD/0818/MD_8971123915224790780050818.json | null | null | null | {"input": {"band-gap": {"value": "tight"}}, "hash": "897112391522479078005081825423581428423727767536302739485007213427119013770078192004135667245475481965910082775139972640517966207403207876612736112382606", "id": "MD_8971123915224790780050818"} |
PO_4678654638404381039419400 | 4678654638404381039419400961987994609041285725472177876539011720773759617467538528224737506570775589908674380685938199039990049116130782663637241783138868 | 2025-04-16T18:18:40 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.437 | unknown | 0.09084 | null | null | null | null | null | CO_1043915403548561155686253 | 10439154035485611556862539267788035683167237183943469593337436105995542786760984098040991383674913725572137351200084327161770237799126480762680075241713707 | 9086648777477412571049821467700072721161526814085964165695072102989923000382664017373125602823030897068523675401406270306705780698428976761412963045711673 | [
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[
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[
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14.35622622
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] | [
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[
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[
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[
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[
2.64960222,
1.58961565,
6.7531112
],
[
2.62856189,
1.61073601,... | [
true,
true,
true
] | Al2Ga2In8O18 | AlGaIn4O9 | A9B4CD | [
"Al",
"Ga",
"In",
"O"
] | [
0.06666666666666667,
0.06666666666666667,
0.26666666666666666,
0.6
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49,
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49,
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49,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 30 | 4 | 3 | [
1,
1,
1
] | [
"sg-167"
] | null | data/MD/0818/MD_8971123915224790780050818.json | null | null | null | {"input": {"band-gap": {"value": "tight"}}, "hash": "897112391522479078005081825423581428423727767536302739485007213427119013770078192004135667245475481965910082775139972640517966207403207876612736112382606", "id": "MD_8971123915224790780050818"} |
PO_4683494808241227704282594 | 4683494808241227704282594031091656482027146953051842917314810839837283722938678783354141270301980301745376520322076941909956611157045164636671122292049307 | 2025-04-16T21:29:37 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 2.1374 | unknown | 0.07392 | null | null | null | null | null | CO_1229513302387472048555644 | 12295133023874720485556441213969118142870198520470985095221322000632095201197696637499213664910714009104512151546980934552807596266480689565135875395931376 | 4448792550974115268739565200193440027600387022903520220746600786206446434612916745126469701641814936650234506632970920977681599082496617349715887794477594 | [
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[
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[
0.07444047,
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[
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[
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[
0.93360916,
3.08546587,
1.8487787
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[
6.2973309,
3.24220945,
1... | [
true,
true,
true
] | Al13Ga10In9O48 | Al13Ga10In9O48 | A48B13C10D9 | [
"Al",
"Ga",
"In",
"O"
] | [
0.1625,
0.125,
0.1125,
0.6
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
... | 80 | 4 | 3 | [
1,
1,
1
] | [
"sg-33"
] | null | data/MD/0818/MD_8971123915224790780050818.json | null | null | null | {"input": {"band-gap": {"value": "tight"}}, "hash": "897112391522479078005081825423581428423727767536302739485007213427119013770078192004135667245475481965910082775139972640517966207403207876612736112382606", "id": "MD_8971123915224790780050818"} |
PO_4682494107111957764279057 | 4682494107111957764279057321888618874511638111644044801159625302756087123201350981537990565393494824985580298488622944544276009663461944541983143123222515 | 2025-04-16T17:13:10 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.4219 | unknown | 0.03688 | null | null | null | null | null | CO_2323182920316891543957426 | 2323182920316891543957426357643449466268854987615851333197364287674757054691974708517499903221023375238282127360072483053167543514523642303811585423852682 | 8554345996243451029716017129530307092781286996988076527225263713414924915820025497127725776856090334782584976079297824685779278563541942182898658401187170 | [
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[
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[
-0.038863,
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[
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[
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[
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[
0.883113,
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],
[
6.304987,
3.020646,
1.961108
],
[
4.604331,
... | [
true,
true,
true
] | Ga18In14O48 | Ga9In7O24 | A24B9C7 | [
"Ga",
"In",
"O"
] | [
0.225,
0.175,
0.6
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31,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
... | 80 | 3 | 3 | [
1,
1,
1
] | [
"sg-33"
] | null | data/MD/0818/MD_8971123915224790780050818.json | null | null | null | {"input": {"band-gap": {"value": "tight"}}, "hash": "897112391522479078005081825423581428423727767536302739485007213427119013770078192004135667245475481965910082775139972640517966207403207876612736112382606", "id": "MD_8971123915224790780050818"} |
PO_1021769654936993178468546 | 10217696549369931784685467864295446200796367167997752731809485748175421238751983625935817924400895295533269544035482345146575427433791713915233113973066749 | 2025-04-16T16:54:17 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 4.9354 | unknown | 0.03092 | null | null | null | null | null | CO_9818612323219492877650650 | 9818612323219492877650650388197368723444294484008468269681728862709540346073773604823995999317411913816639835908134691555709854526870945728882289716557983 | 352709795835021988826372950099458531550921075039665103882482321791422947761496587275965127972252963458904577852645310541413380623804203798007120508618119 | [
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[
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[
0.0208128,
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[
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2.24672167,
6.74118244,
2.2683829
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[
6.7590644,
2.23747415,
2... | [
true,
true,
true
] | Al31GaO48 | Al31GaO48 | A48B31C | [
"Al",
"Ga",
"O"
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0.3875,
0.0125,
0.6
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
... | 80 | 3 | 3 | [
1,
1,
1
] | [
"sg-206"
] | null | data/MD/0818/MD_8971123915224790780050818.json | null | null | null | {"input": {"band-gap": {"value": "tight"}}, "hash": "897112391522479078005081825423581428423727767536302739485007213427119013770078192004135667245475481965910082775139972640517966207403207876612736112382606", "id": "MD_8971123915224790780050818"} |
PO_1062523549809512757076136 | 10625235498095127570761364281788282875020782815050223982026842204159222993074112043935705440858255925202185861999035729983368588107419678336379308154874882 | 2025-04-16T16:09:44 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 0.352 | unknown | 0.1374 | null | null | null | null | null | CO_9580095819461296496805348 | 958009581946129649680534801218844932874817532554006755726061885623626784091103024668753100654149040068168170487211195483181693038935603593515383582787687 | 12465783562135167091517501137727345714506506353098423108834269811566544717056706111975909998799901043821573140958122996460910033409485979193182867908473758 | [
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[
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15.61326144
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] | [
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[
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[
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2.85154646
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[
2.60395847,
-0.1961... | [
true,
true,
true
] | Ga4In12O24 | GaIn3O6 | A6B3C | [
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0.3,
0.6
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8,
8,
8,
8,
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8,
8,
8
] | 40 | 3 | 3 | [
1,
1,
1
] | [
"sg-227"
] | null | data/MD/0818/MD_8971123915224790780050818.json | null | null | null | {"input": {"band-gap": {"value": "tight"}}, "hash": "897112391522479078005081825423581428423727767536302739485007213427119013770078192004135667245475481965910082775139972640517966207403207876612736112382606", "id": "MD_8971123915224790780050818"} |
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[
0.02608609,
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[
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7.05672913,
7.00789374
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[
6.99607238,
6.91815858,
2.29951755
],
[
7.11371711,
6.92443788,
7.00572122
],
[
2.37833942,
7.05535887,
2.3425766
],
[
7.01036598,
2.21975262,
... | [
true,
true,
true
] | Al16Ga11In5O48 | Al16Ga11In5O48 | A48B16C11D5 | [
"Al",
"Ga",
"In",
"O"
] | [
0.2,
0.1375,
0.0625,
0.6
] | [
13,
13,
13,
31,
13,
31,
49,
31,
13,
31,
13,
13,
31,
31,
49,
13,
13,
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31,
49,
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13,
13,
13,
31,
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49,
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31,
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31,
8,
8,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
... | 80 | 4 | 3 | [
1,
1,
1
] | [
"sg-206"
] | null | data/MD/0818/MD_8971123915224790780050818.json | null | null | null | {"input": {"band-gap": {"value": "tight"}}, "hash": "897112391522479078005081825423581428423727767536302739485007213427119013770078192004135667245475481965910082775139972640517966207403207876612736112382606", "id": "MD_8971123915224790780050818"} |
PO_4705310028460748567515502 | 470531002846074856751550255262579022781990907216756314348521558749169571757519969734418936966145574934289139249986742518072203288242201101557833147684654 | 2025-04-16T17:52:48 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.1896 | unknown | 0.05388 | null | null | null | null | null | CO_6990879748243825791605568 | 6990879748243825791605568888522570877573442350817077474487332221402517305364606377768850978841956782252320397707030716843530800482831651307363714587947102 | 12713554934402151167590908840834797158833717403772135309832859758455634707454495260758574947760259555301520793633445074993250035282964167697027679553347720 | [
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0.01978536,
0.04758032
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[
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10.01227287,
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],
[
-0.02411254,
0.00998797,
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] | [
[
7.36599022,
2.60129193,
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[
2.43618792,
7.42809628,
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[
7.47299554,
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[
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[
2.50088056,
7.49182799,
2.46980745
],
[
7.44103724,
2.52408249,
... | [
true,
true,
true
] | Al4Ga5In23O48 | Al4Ga5In23O48 | A48B23C5D4 | [
"Al",
"Ga",
"In",
"O"
] | [
0.05,
0.0625,
0.2875,
0.6
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49,
49,
31,
49,
49,
13,
31,
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49,
49,
49,
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49,
49,
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49,
49,
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49,
49,
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31,
49,
49,
49,
31,
49,
31,
49,
49,
49,
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8,
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8,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
... | 80 | 4 | 3 | [
1,
1,
1
] | [
"sg-206"
] | null | data/MD/0818/MD_8971123915224790780050818.json | null | null | null | {"input": {"band-gap": {"value": "tight"}}, "hash": "897112391522479078005081825423581428423727767536302739485007213427119013770078192004135667245475481965910082775139972640517966207403207876612736112382606", "id": "MD_8971123915224790780050818"} |
PO_4707460758905315477170999 | 4707460758905315477170999249850485703536224590498255942229698350873259717497491621807255131152411792734928956537596576630386144113494552806185108059971526 | 2025-04-16T21:27:46 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.5436 | unknown | 0.09172 | null | null | null | null | null | CO_1155236904410797502311598 | 1155236904410797502311598522589766949438428046787532519836319035691105859596983785411192354020698984288261772756019634552852068835185038156293759026920702 | 1324608799157822752775030181021455588518083985791013748326184248652016549870432691578449151086374161508083031177735323950659049372303070253833121478446669 | [
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[
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9.83457124,
-0.06041009
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[
0.0122764,
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9.80045366
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] | [
[
7.40196914,
2.52936231,
7.27843895
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[
2.41809735,
7.44779739,
7.26076643
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[
7.26629754,
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[
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7.44136661,
7.19416062
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[
2.26888188,
7.44578955,
2.4159872
],
[
7.32439786,
2.49623956,
... | [
true,
true,
true
] | Al13In19O48 | Al13In19O48 | A48B19C13 | [
"Al",
"In",
"O"
] | [
0.1625,
0.2375,
0.6
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13,
49,
13,
13,
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49,
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49,
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49,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
... | 80 | 3 | 3 | [
1,
1,
1
] | [
"sg-206"
] | null | data/MD/0818/MD_8971123915224790780050818.json | null | null | null | {"input": {"band-gap": {"value": "tight"}}, "hash": "897112391522479078005081825423581428423727767536302739485007213427119013770078192004135667245475481965910082775139972640517966207403207876612736112382606", "id": "MD_8971123915224790780050818"} |
PO_4706714972460835945231260 | 4706714972460835945231260674557145773988144857541332482595458424212375700974315129838711621750819187261161877008374370856865103114012364341256518377418875 | 2025-04-16T21:13:01 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.346 | unknown | 0.11972 | null | null | null | null | null | CO_1226472500685317357960861 | 12264725006853173579608616323871618476986618065470476024391839337888275926811293512737884656611985057615193963104304944536987411559877474474450971898477459 | 21249872271732454567148712389904938412309349203285310597055659607735741568985656299481130917686077311528296429898259379419400215035721518517461960582968 | [
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10.78886924,
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0.0280019
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[
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9.46755255,
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],
[
0.0121682,
0.12903027,
9.44913924
]
] | [
[
1.60644244,
8.21619088,
6.41144208
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[
6.99651727,
8.21018703,
6.14007916
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[
3.59798217,
1.27736534,
1.44851143
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[
9.3028189,
1.27824826,
1.68222909
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[
1.06658476,
3.55836795,
1.61935546
],
[
6.48456226,
3.2487832,
... | [
true,
true,
true
] | Al10Ga2In20O48 | Al5GaIn10O24 | A24B10C5D | [
"Al",
"Ga",
"In",
"O"
] | [
0.125,
0.025,
0.25,
0.6
] | [
13,
49,
49,
49,
49,
49,
49,
49,
49,
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49,
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49,
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31,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
... | 80 | 4 | 3 | [
1,
1,
1
] | [
"sg-33"
] | null | data/MD/0818/MD_8971123915224790780050818.json | null | null | null | {"input": {"band-gap": {"value": "tight"}}, "hash": "897112391522479078005081825423581428423727767536302739485007213427119013770078192004135667245475481965910082775139972640517966207403207876612736112382606", "id": "MD_8971123915224790780050818"} |
PO_1020938543665758221789844 | 10209385436657582217898442420495121307679237699652794287345833104831408378407673628741346766787093734050881792160620534885813644622457991455503219565113373 | 2025-04-16T20:04:53 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 4.6139 | unknown | 0.01668 | null | null | null | null | null | CO_4396397179418152084744789 | 4396397179418152084744789259376970576012691859275475159864520590603929808589650173093006626772083511781358913435599451809568373826218078729413738115092045 | 9400190432131670800864122247436791839800217238582882208287762699411615132622041260579876636545772696776254135378556277878733705378147366943374742371002589 | [
[
9.78386037,
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[
0.01586727,
8.41422482,
0.00595051
],
[
0.01106934,
-0.00112152,
9.04605032
]
] | [
[
1.57522279,
7.15078284,
6.3025235
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[
6.50965555,
7.11032466,
6.29911197
],
[
3.31495701,
1.27721796,
1.76552809
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[
8.20740456,
1.25880443,
1.76386714
],
[
0.87010036,
2.92204614,
1.76507924
],
[
5.76760137,
2.90430993,
... | [
true,
true,
true
] | Al31GaO48 | Al31GaO48 | A48B31C | [
"Al",
"Ga",
"O"
] | [
0.3875,
0.0125,
0.6
] | [
13,
13,
13,
13,
13,
13,
31,
13,
13,
13,
13,
13,
13,
13,
13,
13,
13,
13,
13,
13,
13,
13,
13,
13,
13,
13,
13,
13,
13,
13,
13,
13,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
... | 80 | 3 | 3 | [
1,
1,
1
] | [
"sg-33"
] | null | data/MD/0818/MD_8971123915224790780050818.json | null | null | null | {"input": {"band-gap": {"value": "tight"}}, "hash": "897112391522479078005081825423581428423727767536302739485007213427119013770078192004135667245475481965910082775139972640517966207403207876612736112382606", "id": "MD_8971123915224790780050818"} |
PO_1020989702237846417567724 | 10209897022378464175677249674934792377062102348316247035810553813134411518792593729194241080403648524879514889143736692611629514040921527891428795398475172 | 2025-04-16T21:29:37 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.1339 | unknown | 0.13924 | null | null | null | null | null | CO_5555061883365440612312482 | 5555061883365440612312482784509448250656241939515466258670251803127447309084213715625254447997347143488919719376830285435249049477336152475079252299228087 | 11891671627989851401128856822089599959125038522594675458384229811417194972704862485968720828473668414856399003621563993957393529031877223917884938655886130 | [
[
23.43569166,
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[
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6.57493712,
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],
[
-2.31073304,
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6.73963553
]
] | [
[
9.43380555,
0.00450757,
1.48938754
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[
9.63228615,
3.3002328,
1.44115867
],
[
21.73470207,
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1.94471262
],
[
21.52370462,
2.75084784,
2.00919228
],
[
-0.22312399,
0.08202032,
5.62100653
],
[
-0.27066632,
3.35729901... | [
true,
true,
true
] | Al7In25O48 | Al7In25O48 | A48B25C7 | [
"Al",
"In",
"O"
] | [
0.0875,
0.3125,
0.6
] | [
49,
49,
49,
49,
49,
49,
49,
49,
49,
49,
49,
49,
49,
49,
49,
49,
49,
49,
49,
49,
13,
13,
49,
49,
13,
13,
13,
49,
13,
49,
49,
13,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
... | 80 | 3 | 3 | [
1,
1,
1
] | [
"sg-12"
] | null | data/MD/0818/MD_8971123915224790780050818.json | null | null | null | {"input": {"band-gap": {"value": "tight"}}, "hash": "897112391522479078005081825423581428423727767536302739485007213427119013770078192004135667245475481965910082775139972640517966207403207876612736112382606", "id": "MD_8971123915224790780050818"} |
PO_1021127033670820711141686 | 10211270336708207111416863846157904059907839778185603007480663301018543756663029843596432582467034798375629897524591597488716271686305101214201223651084569 | 2025-04-16T21:43:16 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 3.4323 | unknown | 0.04012 | null | null | null | null | null | CO_5361030125046075055303486 | 5361030125046075055303486459702441316654880035958571345053518093171850407880041848265143265201792389055688837439352852630429923554734171668415372503542226 | 6807424502193533031148617768044125039518331163686314216866081158010339327166838854448954824049449186662899513170117561489047291039555061876715648940035379 | [
[
9.18678055,
0.00152351,
0.00787523
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[
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9.18867033,
-0.00774283
],
[
-0.00175686,
0.0127454,
9.18144635
]
] | [
[
6.88860931,
2.32938868,
6.85655883
],
[
2.29052198,
6.90480538,
6.8951369
],
[
6.89315152,
6.8855616,
2.28907671
],
[
6.87820387,
6.875746,
6.88193121
],
[
2.28086095,
6.90355151,
2.27218654
],
[
6.9008057,
2.30909036,
2.3... | [
true,
true,
true
] | Al17Ga15O48 | Al17Ga15O48 | A48B17C15 | [
"Al",
"Ga",
"O"
] | [
0.2125,
0.1875,
0.6
] | [
13,
13,
31,
13,
31,
13,
13,
13,
13,
13,
31,
31,
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31,
13,
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31,
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13,
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31,
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8,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
... | 80 | 3 | 3 | [
1,
1,
1
] | [
"sg-206"
] | null | data/MD/0818/MD_8971123915224790780050818.json | null | null | null | {"input": {"band-gap": {"value": "tight"}}, "hash": "897112391522479078005081825423581428423727767536302739485007213427119013770078192004135667245475481965910082775139972640517966207403207876612736112382606", "id": "MD_8971123915224790780050818"} |
PO_1021223165920981495882124 | 10212231659209814958821243220146402145771029690536813590943474884773604714040177128525688613500719322636947017639844652143705648531750307251033124025254244 | 2025-04-16T17:26:50 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.2264 | unknown | 0.13988 | null | null | null | null | null | CO_7520361337391344363279649 | 7520361337391344363279649063220817585461471906486035594041932381063894634515201035338435914603321146673360959628584765862541746769787373695361662287771878 | 7692982240727815838593228481649717914015540345147661886249761889992167653098337371694560015345183507900248938875509489334829044318135346584350817826268037 | [
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12.70415245,
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[
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3.20467084,
0.01870393
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[
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6.10793871
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] | [
[
11.42401409,
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1.36767148
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[
0.25771993,
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5.05187126
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[
4.59801794,
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1.09290554
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[
6.09986023,
1.53074704,
4.68588998
],
[
9.76278335,
1.53380014,
4.33044256
],
[
1.47950053,
1.54349892,... | [
true,
true,
true
] | Al3In5O12 | Al3In5O12 | A12B5C3 | [
"Al",
"In",
"O"
] | [
0.15,
0.25,
0.6
] | [
13,
49,
49,
49,
49,
13,
13,
49,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 20 | 3 | 3 | [
1,
1,
1
] | [
"sg-12"
] | null | data/MD/0818/MD_8971123915224790780050818.json | null | null | null | {"input": {"band-gap": {"value": "tight"}}, "hash": "897112391522479078005081825423581428423727767536302739485007213427119013770078192004135667245475481965910082775139972640517966207403207876612736112382606", "id": "MD_8971123915224790780050818"} |
PO_1021264889582040169557930 | 10212648895820401695579308625648522424129266013243719302270183834541897467285362464652704081573963512852141584844430357898004763489837763698034009205218583 | 2025-04-17T18:16:17 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 3.2231 | unknown | 0.07048 | null | null | null | null | null | CO_4434323711394430570085421 | 4434323711394430570085421018468744146689450803971451118678848877185793595853502215875821215278362580335582417582072062973344693649848939468060522858932883 | 11502750135464972656646911759009248081971128916617124199269413384396011754312055931791181034398782511453108961930717892672009115772235049963162536275862083 | [
[
10.03761194,
0.51264717,
0.30044164
],
[
-2.70947498,
4.20727849,
-0.07828987
],
[
-0.32761351,
-0.01675908,
13.67253794
]
] | [
[
-0.17402043,
-0.02159483,
2.0454754
],
[
5.06079668,
0.24766588,
2.20739286
],
[
-0.23343912,
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8.73398225
],
[
4.79873564,
0.30550429,
8.89580842
],
[
-0.40865143,
-0.02970644,
11.65669161
],
[
4.81976057,
0.260497... | [
true,
true,
true
] | Al16Ga2In6O36 | Al8GaIn3O18 | A18B8C3D | [
"Al",
"Ga",
"In",
"O"
] | [
0.26666666666666666,
0.03333333333333333,
0.1,
0.6
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13,
13,
49,
31,
13,
13,
49,
31,
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13,
13,
49,
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8,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,... | 60 | 4 | 3 | [
1,
1,
1
] | [
"sg-167"
] | null | data/MD/0818/MD_8971123915224790780050818.json | null | null | null | {"input": {"band-gap": {"value": "tight"}}, "hash": "897112391522479078005081825423581428423727767536302739485007213427119013770078192004135667245475481965910082775139972640517966207403207876612736112382606", "id": "MD_8971123915224790780050818"} |
PO_1021383903361187328115797 | 10213839033611873281157970839847374547927975265944796906401160752995236378177181402781874312754511328219188791450151099436973679893299905765580184268032878 | 2025-04-16T15:18:28 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 2.3222 | unknown | 0.02088 | null | null | null | null | null | CO_7310412782250830127762297 | 7310412782250830127762297997771010253292445564799779326761116761895311170987713582815952619918583046726019422180065148108235288110380258600002871332409883 | 12140472412985813145137346665340840588735536788430979306334784537814165674503102961009860569417401603338298016415753237338029685305624938339112191504396944 | [
[
5.108482,
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0.006436
],
[
0.0082,
8.724074,
0.006383
],
[
-0.01113,
-0.02228,
9.357337
]
] | [
[
0.963843,
5.785728,
0.030298
],
[
4.144538,
2.949343,
4.7314
],
[
1.591737,
1.411659,
4.706717
],
[
3.521913,
7.323284,
0.055182
],
[
3.510372,
1.245801,
7.395138
],
[
1.594046,
7.356531,
2.663138
],
[
4.14706,
... | [
true,
true,
true
] | Al2Ga14O24 | AlGa7O12 | A12B7C | [
"Al",
"Ga",
"O"
] | [
0.05,
0.35,
0.6
] | [
31,
31,
31,
31,
31,
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31,
31,
31,
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13,
31,
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31,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 40 | 3 | 3 | [
1,
1,
1
] | [
"sg-33"
] | null | data/MD/0818/MD_8971123915224790780050818.json | null | null | null | {"input": {"band-gap": {"value": "tight"}}, "hash": "897112391522479078005081825423581428423727767536302739485007213427119013770078192004135667245475481965910082775139972640517966207403207876612736112382606", "id": "MD_8971123915224790780050818"} |
PO_1022154217357015550917811 | 10221542173570155509178119608795834363291996609852346629455621389443931857325867930169473196006326372968163991347204280269139837175246452349594578651053645 | 2025-04-17T17:35:57 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.5811 | unknown | 0.06652 | null | null | null | null | null | CO_1240187622713878844951732 | 12401876227138788449517322701050177625321091237927195273915288652819239596895141290550954310098293509065460311800797170668129493115783337302405160522809055 | 6248935561208225006735102129284566648311580936418122117824592316923581894523198310254902761643248825255117960729971754798217033801959469698587717307822948 | [
[
5.307046,
0.06877,
0.009904
],
[
-2.712687,
4.560898,
-0.020917
],
[
-0.027934,
0.049618,
14.294705
]
] | [
[
-0.003962,
0.006558,
1.921833
],
[
-0.017821,
0.031705,
9.12218
],
[
-0.023641,
0.042852,
12.19956
],
[
-0.010251,
0.017692,
5.222212
],
[
2.620238,
1.59016,
6.980793
],
[
2.606649,
1.61479,
13.845102
],
[
2.628236... | [
true,
true,
true
] | Al2Ga3In7O18 | Al2Ga3In7O18 | A18B7C3D2 | [
"Al",
"Ga",
"In",
"O"
] | [
0.06666666666666667,
0.1,
0.23333333333333334,
0.6
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49,
49,
31,
49,
13,
49,
49,
49,
31,
49,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 30 | 4 | 3 | [
1,
1,
1
] | [
"sg-167"
] | null | data/MD/0818/MD_8971123915224790780050818.json | null | null | null | {"input": {"band-gap": {"value": "tight"}}, "hash": "897112391522479078005081825423581428423727767536302739485007213427119013770078192004135667245475481965910082775139972640517966207403207876612736112382606", "id": "MD_8971123915224790780050818"} |
PO_4698118609330064255312538 | 4698118609330064255312538846129787235341706766256228532503532769220439736524519347073565273270251616369369106413719930842879404353164000762605242550430787 | 2025-04-16T17:45:49 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 0.9961 | unknown | 0.03632 | null | null | null | null | null | CO_9938903270631796987138504 | 9938903270631796987138504535781790148065117325777537596676186484715258004477480423180000332933612258919502526454079876396970877841576158705151501862241469 | 6802711925614518963113848516386075386507988089313464907140596504248660530206742616133788704815080734554782485204960919645450419383381335617826922830421936 | [
[
10.14517911,
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],
[
-0.00623869,
10.11948181,
-0.00417335
],
[
0.00946788,
-0.02726384,
10.1258889
]
] | [
[
7.74155025,
2.49871694,
7.54590512
],
[
2.47668739,
7.6281623,
7.67215353
],
[
7.61575167,
7.59086506,
2.54227926
],
[
7.67104403,
7.55579833,
7.62920729
],
[
2.53510041,
7.58136112,
2.51028267
],
[
7.65809472,
2.51416764,
... | [
true,
true,
true
] | Al2Ga3In27O48 | Al2Ga3In27O48 | A48B27C3D2 | [
"Al",
"Ga",
"In",
"O"
] | [
0.025,
0.0375,
0.3375,
0.6
] | [
49,
49,
49,
49,
49,
49,
49,
49,
49,
31,
49,
49,
13,
49,
49,
49,
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49,
49,
49,
31,
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49,
49,
49,
49,
49,
31,
8,
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8,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
... | 80 | 4 | 3 | [
1,
1,
1
] | [
"sg-206"
] | null | data/MD/0818/MD_8971123915224790780050818.json | null | null | null | {"input": {"band-gap": {"value": "tight"}}, "hash": "897112391522479078005081825423581428423727767536302739485007213427119013770078192004135667245475481965910082775139972640517966207403207876612736112382606", "id": "MD_8971123915224790780050818"} |
PO_4699656427193077999147320 | 4699656427193077999147320558752333639457308409029824714403310137067400370805032798060421012743065627681345513926052157079777755369074184545642588341542916 | 2025-04-16T18:23:00 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 4.3487 | unknown | 0.0366 | null | null | null | null | null | CO_3624028622130977087846502 | 3624028622130977087846502023753747059100552725802638169407175353874193906826314980110937544299364030500274499468579787722701055588983805758580569176265047 | 4517389284237851432461433268064296670997686175570984237996093910506983441580095194346522399515007740845877045757187394117958373619624254676202583044905290 | [
[
4.89873329,
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],
[
-2.46965026,
4.2309992,
0.00748346
],
[
0.02798863,
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13.30565625
]
] | [
[
0.00404009,
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1.93701126
],
[
0.01836357,
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8.6778442
],
[
0.02356637,
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11.338349
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[
0.00976209,
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4.58923305
],
[
2.45587973,
1.42352726,
6.23611618
],
[
2.46966986,
1.42066141,
... | [
true,
true,
true
] | Al10GaInO18 | Al10GaInO18 | A18B10CD | [
"Al",
"Ga",
"In",
"O"
] | [
0.3333333333333333,
0.03333333333333333,
0.03333333333333333,
0.6
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13,
13,
13,
13,
49,
31,
13,
13,
13,
13,
13,
13,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 30 | 4 | 3 | [
1,
1,
1
] | [
"sg-167"
] | null | data/MD/0818/MD_8971123915224790780050818.json | null | null | null | {"input": {"band-gap": {"value": "tight"}}, "hash": "897112391522479078005081825423581428423727767536302739485007213427119013770078192004135667245475481965910082775139972640517966207403207876612736112382606", "id": "MD_8971123915224790780050818"} |
PO_4699279518515168982945256 | 4699279518515168982945256136003966464288250702396827675815886047060965104164682444114282052417796000950041555113512302238787068620227254170645143743851491 | 2025-04-17T18:37:27 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 3.3994 | unknown | 0.04216 | null | null | null | null | null | CO_1112520093315502608744467 | 11125200933155026087444671496875443153937402650215681152777061142734868546705873717571970870899682423647105076266660403560683048527202021177339945476849735 | 4305301281259219566651155889893508714709987102090825300925028801358523445146631543986122002687266509215726951578649979573417808920482579517079976707067804 | [
[
9.18768732,
0.04423546,
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],
[
-0.04016304,
9.17581557,
0.05619616
],
[
0.00763945,
-0.02242038,
9.18991542
]
] | [
[
6.86635005,
2.31579736,
6.93724046
],
[
2.2704393,
6.85489462,
6.95348598
],
[
6.8437629,
6.9340308,
2.28914208
],
[
6.86440877,
6.91018626,
6.96838552
],
[
2.27615925,
6.880555,
2.31482983
],
[
6.84181774,
2.31966466,
2.2... | [
true,
true,
true
] | Al17Ga15O48 | Al17Ga15O48 | A48B17C15 | [
"Al",
"Ga",
"O"
] | [
0.2125,
0.1875,
0.6
] | [
13,
31,
31,
13,
31,
13,
31,
13,
31,
13,
13,
31,
31,
31,
31,
31,
13,
13,
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13,
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13,
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31,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
... | 80 | 3 | 3 | [
1,
1,
1
] | [
"sg-206"
] | null | data/MD/0818/MD_8971123915224790780050818.json | null | null | null | {"input": {"band-gap": {"value": "tight"}}, "hash": "897112391522479078005081825423581428423727767536302739485007213427119013770078192004135667245475481965910082775139972640517966207403207876612736112382606", "id": "MD_8971123915224790780050818"} |
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