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_3925258880336388250233392 | 392525888033638825023339266181050885222204708261875849179962353269045366277356406014610872084389775259052202196773063915077922928079696582354663598371351 | 2025-04-16T18:14:38 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 2.2573 | unknown | 0.09856 | null | null | null | null | null | CO_1108736537594175854029303 | 11087365375941758540293039591923262760714507701681059714444606119628141162154496670795730874269769416496920730979822613019725642259411405300002098909170785 | 8842489326282425468715937716425447791922460392465150777173878860923111756225204210334701499979747207223673690770479272540496182570536888987726114262733581 | [
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[
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true,
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PO_3920974194697688342401565 | 3920974194697688342401565175745171710212818964864571898709347343880233868220733232367246289250237291922520661421477556743111885377570417562075471015978061 | 2025-04-16T15:23:10 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.8426 | unknown | 0.08788 | null | null | null | null | null | CO_1053532940528994057158559 | 10535329405289940571585595666536113018240221707428320854626150178503294111412471073069370134477315463207269912565480823841854242596868734001621888363095970 | 4711083508234306826563350937344630178049520690428004800627369709878679419584113436171245255073248187454090717035875761118526908380992759944245950064167968 | [
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[
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3.424056... | [
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true,
true
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... | 80 | 4 | 3 | [
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[
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1.46469748... | [
true,
true,
true
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[
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true,
true,
true
] | Al10Ga4In2O24 | Al5Ga2InO12 | A12B5C2D | [
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[
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true,
true,
true
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] | 40 | 4 | 3 | [
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[
1.69319... | [
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true,
true
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true,
true
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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_9916088317719847762140114 | 9916088317719847762140114699957134118838039745165390763630837039016928341562245532796687710420420048200155388786111478178289730916778295810288462004463667 | 2025-04-16T20:09:21 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.4258 | unknown | 0.099 | null | null | null | null | null | CO_1207119968798633668468447 | 12071199687986336684684476231235854313302025381252202690478622381832790473662378680864727226404582766572856952777366830531082478512629164066592458783869535 | 3347143255143091540856394039916657482211290360102866994960273931409133025456915802488690565891187006450861427652788462024645596728823471857152849340710945 | [
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[
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9.2496902,
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[
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0.10280885,
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] | [
[
1.57771942,
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6.51349069
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[
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[
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[
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[
1.08488746,
3.51930158,
1.75920181
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[
6.41411324,
3.3241634,
1.... | [
true,
true,
true
] | Al9Ga6In17O48 | Al9Ga6In17O48 | A48B17C9D6 | [
"Al",
"Ga",
"In",
"O"
] | [
0.1125,
0.075,
0.2125,
0.6
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13,
49,
49,
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,
... | 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_3936085595108908634281464 | 3936085595108908634281464374873594255361382574811983585708982458324651632241256744977974864327016976801051869036454874883658569567778884174199861297231169 | 2025-04-16T21:29:37 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 3.4387 | unknown | 0.0272 | null | null | null | null | null | CO_1581130238859970069338057 | 1581130238859970069338057158846039430085439401050782899633648453356141346307045726749751245460926783536942457791667673460651080642204359791079077761732658 | 11529643433692218259811006031723297864385520358290682446244729753996423844425404038636398341346965744240160709939377133104214196535267159992052639058087497 | [
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[
0.020066,
8.567744,
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[
0.014275,
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] | [
[
1.630872,
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6.324361
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[
6.630021,
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[
3.386863,
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[
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[
0.9098,
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],
[
5.845552,
2.967895,
1.760582
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[
4.167011,
5... | [
true,
true,
true
] | Al20Ga12O48 | Al5Ga3O12 | A12B5C3 | [
"Al",
"Ga",
"O"
] | [
0.25,
0.15,
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,
... | 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_3934105082350882245835595 | 3934105082350882245835595575535362039094224130958363925246362251234698589551687675831664712302610450214663098786846778614010613618039914878656946172552230 | 2025-04-17T17:56:16 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.3867 | unknown | 0.10864 | null | null | null | null | null | CO_5897660783518934182272734 | 5897660783518934182272734359478682001382253632769516170308786101800848015459692837437125777440247461303726136279533322903653976300242290943389974329852960 | 7836241386033736474661710136464191273023774880581000405416930412397100753662874187906561550704277865834875533217774916667026088913698078014017903378580677 | [
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[
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14.4795222
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] | [
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[
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[
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[
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[
2.68616048,
1.54005207,
6.69889477
],
[
2.66555871,
1.54752019... | [
true,
true,
true
] | Al3In9O18 | AlIn3O6 | A6B3C | [
"Al",
"In",
"O"
] | [
0.1,
0.3,
0.6
] | [
13,
49,
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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"} |
PO_3957305012655530627195379 | 3957305012655530627195379380804175896714621613474401118634602836853650840591200478606573770926799283736587354962026435935669640724438620204870776490784263 | 2025-04-16T17:44:15 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.0169 | unknown | 0.1756 | null | null | null | null | null | CO_1081025699918363302986951 | 10810256999183633029869519712315948272379637428613569464080777576604228726235756024142151480876131823222466222928399079698453021192048936083056282265271962 | 8353180921830488141695649511176821126619285709281606564812152280834471330564428830797884989262766497456631503215667514096088820138109149434430466366432480 | [
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[
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[
0.14442066,
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14.38280731
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[
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[
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[
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[
3.03353291,
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0.10964692
],
[
-1.49260515,
2.5793144,
... | [
true,
true,
true
] | Al8Ga3In5O24 | Al8Ga3In5O24 | A24B8C5D3 | [
"Al",
"Ga",
"In",
"O"
] | [
0.2,
0.075,
0.125,
0.6
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 40 | 4 | 3 | [
1,
1,
1
] | [
"sg-227"
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PO_3957730510924759027149286 | 3957730510924759027149286547661039107932143091188297130612264317815872502244570628287378689363298459691982097931886304903492146386248607442302449220257427 | 2025-04-16T21:57:13 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 0.9905 | unknown | 0.13712 | null | null | null | null | null | CO_3188025265441070600838887 | 3188025265441070600838887619403466922616497869090288113142096499959367484964811522771061866495914258161056271185030864518875495740423002010404069680332412 | 12255227931797485893035982829674290760455892851602480639518237757610563168903393559291981185980086547897721823423946610646049403354215078609572618255603339 | [
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[
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0.01795797
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[
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0.00738374,
24.34818541
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] | [
[
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[
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18.46200701
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[
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[
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18.38739041
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[
3.52142931,
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5.64078119
],
[
3.13653461,
0.08800858... | [
true,
true,
true
] | Al8Ga13In11O48 | Al8Ga13In11O48 | A48B13C11D8 | [
"Al",
"Ga",
"In",
"O"
] | [
0.1,
0.1625,
0.1375,
0.6
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13,
49,
31,
49,
31,
31,
13,
13,
49,
49,
31,
13,
13,
49,
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49,
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8,
8,
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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-194"
] | null | data/MD/0818/MD_8971123915224790780050818.json | null | null | null | {"input": {"band-gap": {"value": "tight"}}, "hash": "897112391522479078005081825423581428423727767536302739485007213427119013770078192004135667245475481965910082775139972640517966207403207876612736112382606", "id": "MD_8971123915224790780050818"} |
PO_3954052419437612289755646 | 3954052419437612289755646347566838101959744380514385248898195748921698827837200621885334103179135304296607983224530591748577042151527155381642653140569502 | 2025-04-16T15:43:58 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.4089 | unknown | 0.0898 | null | null | null | null | null | CO_1336981120978645851816594 | 13369811209786458518165945564748653890406731850670659260494010915005800047853232475715970087601401170450313295052786688844300830812303792336328935703550976 | 3070724617292196452737879500878436225697927740604538193555194288158640896452430032242215854853082656383839150028662025323863780369223779577573873787583993 | [
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[
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[
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0.1209657,
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] | [
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[
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[
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[
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[
2.34867577,
7.46753397,
2.52429283
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[
7.26474018,
2.38869004,
... | [
true,
true,
true
] | Al11In21O48 | Al11In21O48 | A48B21C11 | [
"Al",
"In",
"O"
] | [
0.1375,
0.2625,
0.6
] | [
13,
49,
49,
49,
49,
49,
49,
13,
49,
13,
49,
49,
49,
49,
49,
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49,
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49,
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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,
... | 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_3946392930101035382470609 | 3946392930101035382470609999533806372260121929123195908961962892946217241066911184962057656942426591056397866474396889792487737750610260877594073976056430 | 2025-04-16T18:47:29 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 0.3039 | unknown | 0.13068 | null | null | null | null | null | CO_7446798889810076730715446 | 7446798889810076730715446343332563755145966484326025468682268935214420549100359323665786454969521309862832599596199157199215062021837715544374271593181275 | 9048572641518953562514477315528379835994554225963796268618587414415461840608584627311022925836251972094002917483653168731325047143241024004780398133692676 | [
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[
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[
0.03572528,
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15.71690808
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] | [
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[
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[
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[
1.62302487,
4.55281489,
5.34797089
],
[
1.6569204,
0.82818101,
... | [
true,
true,
true
] | Ga4In12O24 | GaIn3O6 | A6B3C | [
"Ga",
"In",
"O"
] | [
0.1,
0.3,
0.6
] | [
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31,
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-227"
] | null | data/MD/0818/MD_8971123915224790780050818.json | null | null | null | {"input": {"band-gap": {"value": "tight"}}, "hash": "897112391522479078005081825423581428423727767536302739485007213427119013770078192004135667245475481965910082775139972640517966207403207876612736112382606", "id": "MD_8971123915224790780050818"} |
PO_9892347518747223663255360 | 9892347518747223663255360052049725153293617533877471758690454219668801414695486076782226566182783288058103374914799375805716688999440772833031758372565408 | 2025-04-16T18:23:00 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 2.4299 | unknown | 0.01188 | null | null | null | null | null | CO_1052159118094475463489712 | 10521591180944754634897120051721846231914576689139586846598505834478033099084302756735809390787233867746510560049607614963952949530310045692320282160847401 | 8985206057987502511849666278739683906722935084854224290720995326798844689455231736734544273262845110803783337508249604633051068855187024082087404283579603 | [
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[
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6.07337494,
0.04830361
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[
-1.4568892,
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5.61510884
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] | [
[
11.01996099,
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1.37363768
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[
11.01195365,
3.02627105,
1.3987033
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[
23.1462155,
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1.4966166
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[
23.12148367,
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1.51555654
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[
-0.13825195,
-0.055138,
4.45415239
],
[
-0.11903794,
2.9815387,... | [
true,
true,
true
] | Al11Ga21O48 | Al11Ga21O48 | A48B21C11 | [
"Al",
"Ga",
"O"
] | [
0.1375,
0.2625,
0.6
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13,
31,
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31,
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8,
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8,
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8,
8,
8,
8,
... | 80 | 3 | 3 | [
1,
1,
1
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PO_9891333318085244418139054 | 9891333318085244418139054004467124635423613367905901261614521691369304659697663112184809361789595022229448951810120289114656154256547369454353911933343 | 2025-04-16T21:37:17 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.7346 | unknown | 0.05368 | null | null | null | null | null | CO_1259532232579590127438436 | 12595322325795901274384366586150464861768652300270910494363646579973817272087396719004109415732754979085948768366152545224318044472009474267475333099856618 | 8873032976992963287187505662221849569421133247658076607915664179759889424571351335382638157876475731096984516258619866763851797396539850725854120460651193 | [
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[
5.22710995,
2.92590423,
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[
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0.03633446,
14.36512852
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[
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[
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4.94402713
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[
1.65715206,
-0.01491839... | [
true,
true,
true
] | Al3Ga11In2O24 | Al3Ga11In2O24 | A24B11C3D2 | [
"Al",
"Ga",
"In",
"O"
] | [
0.075,
0.275,
0.05,
0.6
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49,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 40 | 4 | 3 | [
1,
1,
1
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"sg-227"
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PO_9881647443827317446294165 | 9881647443827317446294165302833204341398749322109506925963904215491761071889346260478635495729942390868620849196158094962486914878931410734005795798062654 | 2025-04-16T18:47:56 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 2.2485 | unknown | 0.03624 | null | null | null | null | null | CO_1320271853003822124329648 | 13202718530038221243296486334060989843630627760694084682332849793653238819401438501379321680901648676372425247941301373243464546887090804494776650729651844 | 2507702334539107912449143992740039492772757806420696336502714175188316539510765080412779722978561911045964185829900636002204202323122018869864787960823034 | [
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4.123169,
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[
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13.655357
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[
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[
4.43865,
0.774357,
11.907586
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[
-0.281... | [
true,
true,
true
] | Ga23InO36 | Ga23InO36 | A36B23C | [
"Ga",
"In",
"O"
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0.38333333333333336,
0.016666666666666666,
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,... | 60 | 3 | 3 | [
1,
1,
1
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PO_9915072680417045535219402 | 9915072680417045535219402316646929794654378188530227708642958885009591120954056129321092343232082228998289155509254666687157252429395150963910146592067402 | 2025-04-16T16:07:38 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 4.5094 | unknown | 0.02736 | null | null | null | null | null | CO_5659225501005951811289879 | 5659225501005951811289879628226564928330892727731671718488048618473427461333119457689801892898834506260625187629080257081934484702597453935947157476749158 | 5637662724392951729867503375649287076581843529472973775269320690103946513051375034040832823793321677304679092080778450104924097631350983887844092835386297 | [
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[
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[
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11.29442306
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[
4.71326246,
0.065953... | [
true,
true,
true
] | Al20Ga3InO36 | Al20Ga3InO36 | A36B20C3D | [
"Al",
"Ga",
"In",
"O"
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0.3333333333333333,
0.05,
0.016666666666666666,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,... | 60 | 4 | 3 | [
1,
1,
1
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PO_9897855756294415867551349 | 9897855756294415867551349339747972350913000977499086183446439212814584505774817039038347576276128102004736977192308376054221211140671104819042733965634474 | 2025-04-16T16:07:11 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 2.605 | unknown | 0.0924 | null | null | null | null | null | CO_7200808032364741184522924 | 7200808032364741184522924654448981549498225374853674134068266782947861002977473616340751384828245256128788985856878196737456141644059567737327139745910540 | 12659597716700889896350389744875791562709792746129974540656724915002694952778250189024675448325773179761486391790617671089418816135450398374240433822410531 | [
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[
0.00793348,
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[
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6.9986313,
2.34676835
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[
6.99981452,
2.36826287,
... | [
true,
true,
true
] | Al18Ga7In7O48 | Al18Ga7In7O48 | A48B18C7D7 | [
"Al",
"Ga",
"In",
"O"
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0.225,
0.0875,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
... | 80 | 4 | 3 | [
1,
1,
1
] | [
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PO_3960635815348650563498584 | 3960635815348650563498584411809278194410710262751374527309682052284765419020645180400759822754230704722745307608989681282029385525640933688824763037331409 | 2025-04-16T16:10:20 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 2.5472 | unknown | 0.10216 | null | null | null | null | null | CO_1256370877527479724803517 | 12563708775274797248035179451186089984028216305256470539868138256761651922951244591507820657054496510836866924973305558133074703154827921168466778737965837 | 5441955172018675519937309979730072938746427947759985219044030402424704259426334034370418229542860164259066556888738731760552525673715977036407406543583381 | [
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[
0.0407725,
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[
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[
3.12422237,
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5.86414352
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[
3.16005518,
-0.010565... | [
true,
true,
true
] | Al15Ga17O48 | Al15Ga17O48 | A48B17C15 | [
"Al",
"Ga",
"O"
] | [
0.1875,
0.2125,
0.6
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31,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
... | 80 | 3 | 3 | [
1,
1,
1
] | [
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[
0.00205107,
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[
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[
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[
2.47250758,
1.45725368,
6.4176847
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[
2.47328119,
1.46508597,
... | [
true,
true,
true
] | Al7Ga4InO18 | Al7Ga4InO18 | A18B7C4D | [
"Al",
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"In",
"O"
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0.23333333333333334,
0.13333333333333333,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 30 | 4 | 3 | [
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] | [
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[
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7.65603601,
2.47323943
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[
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2.56767265,
... | [
true,
true,
true
] | Al3Ga2In27O48 | Al3Ga2In27O48 | A48B27C3D2 | [
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"In",
"O"
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0.0375,
0.025,
0.3375,
0.6
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8,
8,
8,
8,
8,
8,
8,
8,
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8,
8,
8,
8,
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17.92271241
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6.04397716
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[
4.89090565,
2.67265718,
17.89213597
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[
3.26234342,
0.03277472,
6.03479082
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[
3.45386149,
-0.19867599... | [
true,
true,
true
] | Al14Ga11In7O48 | Al14Ga11In7O48 | A48B14C11D7 | [
"Al",
"Ga",
"In",
"O"
] | [
0.175,
0.1375,
0.0875,
0.6
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31,
13,
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31,
31,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
... | 80 | 4 | 3 | [
1,
1,
1
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"sg-194"
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PO_3191177071173906306430739 | 3191177071173906306430739514799319695311049413604720817051668098575910133620022861167394255385571009136686423904797666141181149031102832809701659869704885 | 2025-04-17T18:06:06 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.4614 | unknown | 0.08796 | null | null | null | null | null | CO_6662750686252829136024055 | 6662750686252829136024055042899434770851737416113650180934306449940078913898578981052668268077987310016553715905791403497094809004309712871163063163088464 | 4612286881212650303216819644177026076443681608321945290225447409985384000160825131795855714900017748513878392886128506135405939027990601861952311036611317 | [
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2.92390551,
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[
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0.20249294,
14.26095401
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11.79334411,
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[
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[
8.5336795,
2.14857895,
2.62522475
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[
11.55551081,
2.2049694,
... | [
true,
true,
true
] | Al8Ga7InO24 | Al8Ga7InO24 | A24B8C7D | [
"Al",
"Ga",
"In",
"O"
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0.2,
0.175,
0.025,
0.6
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8,
8,
8,
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8,
8,
8
] | 40 | 4 | 3 | [
1,
1,
1
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"sg-227"
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PO_3977861603231031339406130 | 3977861603231031339406130017108398685815737595781928764929382638345809820554622690547570712613164452125038814822114463047906956419354915272574000525014521 | 2025-04-16T18:22:53 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.5834 | unknown | 0.04376 | null | null | null | null | null | CO_3466419048306323340276369 | 3466419048306323340276369890441365440192600988971702292285626939319417398397775000049792158668940493459157547363312887857237601762776871063583496942117558 | 66406260511488310100089584767444888490939557344257626088524511322303095880579786928230015006507771175870640352774141263704909295904564563659067658212359 | [
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[
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24.16909357
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[
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[
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[
3.27432261,
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6.08985655
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[
3.24948729,
0.0214834,
... | [
true,
true,
true
] | Ga25In7O48 | Ga25In7O48 | A48B25C7 | [
"Ga",
"In",
"O"
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0.3125,
0.0875,
0.6
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49,
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1,
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1
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"sg-194"
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PO_3977247436931246786640918 | 3977247436931246786640918484427616337486977824527202578791597858007307081604436967221989562656766108432970591440859013840634865495103830506129063347467665 | 2025-04-16T20:58:52 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 5.2457 | unknown | 0.006 | null | null | null | null | null | CO_7713748207546425125809487 | 7713748207546425125809487801517871249072232655800941632181056021592762351640201832499989550808648954734690669136096283270223240733398497270902784348873155 | 3727799297433611188215926296983469707261149222351423089713869959339793859642707613942060415167901590724171172307526482019471496465555942069867008332833471 | [
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[
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6.338646
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[
2.407071,
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12.906087
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[
2.41199... | [
true,
true,
true
] | Al11GaO18 | Al11GaO18 | A18B11C | [
"Al",
"Ga",
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0.36666666666666664,
0.03333333333333333,
0.6
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8
] | 30 | 3 | 3 | [
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[
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1.95799372,
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[
3.06553591,
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... | [
true,
true,
true
] | Al7Ga6In3O24 | Al7Ga6In3O24 | A24B7C6D3 | [
"Al",
"Ga",
"In",
"O"
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0.175,
0.15,
0.075,
0.6
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8,
8,
8,
8,
8,
8,
8,
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8
] | 40 | 4 | 3 | [
1,
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1
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[
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11.91092418
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[
4.97573982,
0.303795... | [
true,
true,
true
] | Al14In10O36 | Al7In5O18 | A18B7C5 | [
"Al",
"In",
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0.23333333333333334,
0.16666666666666666,
0.6
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8,
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8,
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8,... | 60 | 3 | 3 | [
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[
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[
2.57429932,
1.5249013,... | [
true,
true,
true
] | Al5Ga2In5O18 | Al5Ga2In5O18 | A18B5C5D2 | [
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"In",
"O"
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[
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2.30983941,
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[
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2.40912611,
... | [
true,
true,
true
] | Al16Ga10In6O48 | Al8Ga5In3O24 | A24B8C5D3 | [
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PO_9914157510763813696888990 | 9914157510763813696888990447376066034450773945318178138971574742626208743390068181153132846472027424030339380869442495325267419309023426879945898410980771 | 2025-04-16T16:25:12 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 3.0843 | unknown | 0.01276 | null | null | null | null | null | CO_1730558076872007855083685 | 1730558076872007855083685109651071628027173544652021049921319837179693794380281490562213446736676031965942628425799046521217261116308755131230088618126277 | 7109164667660204371321584458096833371609944893208792772311242269666449485120029750189396142681256382945285369785193356392179592241045003975581956920033786 | [
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[
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[
9.34656645,
1.51070564,
3.82231886
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[
1.58746583,
1.50718444,
... | [
true,
true,
true
] | Al5Ga3O12 | Al5Ga3O12 | A12B5C3 | [
"Al",
"Ga",
"O"
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0.25,
0.15,
0.6
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13,
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31,
31,
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13,
8,
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8,
8,
8,
8,
8,
8,
8,
8,
8
] | 20 | 3 | 3 | [
1,
1,
1
] | [
"sg-12"
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PO_9922850735236618186408833 | 992285073523661818640883328901841742163174541802805681141844058406985229064275466725714120698562609626826028732918637061520289190396473382860219222978659 | 2025-04-16T20:18:47 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.2386 | unknown | 0.13104 | null | null | null | null | null | CO_1173835727730850925400397 | 1173835727730850925400397629554921491963217206920976725226340835505771231734076868272948863974715565112556201202142505246001122153695348129090524648628964 | 3727562235051985078079787569807842617945799901750906104978547601239891332244293242618426296461898016964576543506075320058190251150895408227741481299972735 | [
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[
0.25213124,
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[
3.18297332,
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... | [
true,
true,
true
] | Al4Ga7In5O24 | Al4Ga7In5O24 | A24B7C5D4 | [
"Al",
"Ga",
"In",
"O"
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0.1,
0.175,
0.125,
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1
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[
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... | [
true,
true,
true
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0.6
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[
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3.1804... | [
true,
true,
true
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0.1125,
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... | 80 | 4 | 3 | [
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1,
1
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[
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[
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... | [
true,
true,
true
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0.025,
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0.3625,
0.6
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8,
8,
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... | 80 | 4 | 3 | [
1,
1,
1
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[
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[
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3.12087... | [
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true,
true
] | Al9Ga10In13O48 | Al9Ga10In13O48 | A48B13C10D9 | [
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3.09438... | [
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true,
true
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true,
true
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[
0.05948103,
0.01729265,
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[
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[
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[
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6.99735769,
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[
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2.42638811,
... | [
true,
true,
true
] | Al15Ga12In5O48 | Al15Ga12In5O48 | A48B15C12D5 | [
"Al",
"Ga",
"In",
"O"
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0.1875,
0.15,
0.0625,
0.6
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1,
1,
1
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PO_3212120644680954937300065 | 3212120644680954937300065885088404173930451506761499949828467471226528560083686494437705788116204694934265665738360841859304621198555187392027620864667909 | 2025-04-16T18:41:33 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.4441 | unknown | 0.08972 | null | null | null | null | null | CO_5872060940576222579931232 | 5872060940576222579931232059667799003632750216401577369864194007358357664247600834447360695396297456522092050925338926555169871452966387241304062693547998 | 10010837166405773698316795080816143049342184184676611079603299375999284189182847984966264640662367014835890214124162563889912095556141560990641537506758595 | [
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[
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[
6.42061308,
3.18519996,
1.81... | [
true,
true,
true
] | Al2Ga20In10O48 | AlGa10In5O24 | A24B10C5D | [
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"Ga",
"In",
"O"
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0.025,
0.25,
0.125,
0.6
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8,
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... | 80 | 4 | 3 | [
1,
1,
1
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PO_3202094974570456169967989 | 3202094974570456169967989890097812287186365943625128162611902375695837259196417130163772743710287523685213763761046746389298929672415480559888770051711557 | 2025-04-16T16:28:13 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 2.3551 | unknown | 0.08992 | null | null | null | null | null | CO_6955373903065065551415681 | 6955373903065065551415681671674020573935331575333407528867640448042187685365058612704024152086240343539005579686106249322533820532896940226285000644689971 | 3278847890636164793064370653842209706312567738636257043470929562178746133871632618057962160042630416883043727276758042687387697547765917055950787377446042 | [
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[
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[
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2.51240287,
... | [
true,
true,
true
] | Al15Ga9In8O48 | Al15Ga9In8O48 | A48B15C9D8 | [
"Al",
"Ga",
"In",
"O"
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0.1875,
0.1125,
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... | 80 | 4 | 3 | [
1,
1,
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PO_3200916149335039158053041 | 3200916149335039158053041300860611451340703699957767012691448638453677911769947235547563262228621661209692778837858383686254642454908505857244391983139473 | 2025-04-16T16:31:52 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 2.9852 | unknown | 0.11152 | null | null | null | null | null | CO_3890970211492400534673200 | 3890970211492400534673200153698269169292352097146364064429246401391442543519235451481875179617173252698526804732154114433338537325494969837061012265512051 | 2536397698466712940871282921083617921284017031840555304969379840427304917879349402977580882473974808597769569680830347698465741441956217260381941663950979 | [
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[
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[
3.16822949,
-0.0834212... | [
true,
true,
true
] | Al22Ga8In2O48 | Al11Ga4InO24 | A24B11C4D | [
"Al",
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"In",
"O"
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0.275,
0.1,
0.025,
0.6
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... | 80 | 4 | 3 | [
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1,
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[
0.050264,
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23.553383
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[
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[
3.133533,
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17.632434
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[
1.557... | [
true,
true,
true
] | Al20Ga12O48 | Al5Ga3O12 | A12B5C3 | [
"Al",
"Ga",
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0.25,
0.15,
0.6
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... | 80 | 3 | 3 | [
1,
1,
1
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[
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11.58267504,
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[
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[
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[
24.10079913,
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[
0.16158559,
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4.55907123
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[
0.09089467,
3.06418537,... | [
true,
true,
true
] | Al13Ga8In11O48 | Al13Ga8In11O48 | A48B13C11D8 | [
"Al",
"Ga",
"In",
"O"
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0.1625,
0.1,
0.1375,
0.6
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8,
8,
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... | 80 | 4 | 3 | [
1,
1,
1
] | [
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[
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[
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7.28687931,
2.38476059
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[
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2.43714851,
... | [
true,
true,
true
] | Al12Ga6In14O48 | Al6Ga3In7O24 | A24B7C6D3 | [
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"In",
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0.6
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[
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[
1.552983,
7.242402,
2.597084
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[
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... | [
true,
true,
true
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0.2,
0.6
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8,
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8
] | 40 | 3 | 3 | [
1,
1,
1
] | [
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[
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true,
true
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true
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[
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true,
true
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[
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true,
true
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true,
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] | 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_3263485640981118344421274 | 3263485640981118344421274082876360731554328576640834439757326464062040879244504197455708130433873706280778573063832820844558432158743297942395881269239856 | 2025-04-16T16:45:11 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 2.0435 | unknown | 0.12044 | null | null | null | null | null | CO_1052350133186215578660488 | 10523501331862155786604884684091797485284999092778567533675379931980076338150244940257768830313974975626521939707984698522844410294545938157435811773375252 | 13093940667427248348924103293981516528967416225464935236267437851010750663161987883218642397328438009254684296127555176096565642623501547857142108588381698 | [
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0.00106195,
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[
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0.06771733
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[
0.04229148,
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] | [
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0.82360313,
6.08056417,
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[
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4.59724401
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[
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[
3.33997728,
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[
3.51838542,
1.33402417,
7.27232522
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[
1.68252035,
7.59630598,
... | [
true,
true,
true
] | Al9GaIn6O24 | Al9GaIn6O24 | A24B9C6D | [
"Al",
"Ga",
"In",
"O"
] | [
0.225,
0.025,
0.15,
0.6
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49,
31,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 40 | 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_3618162845520481265155577 | 3618162845520481265155577565464590121519452005489380356168027928203543127027684392794122981186641222043892730311662440373273876409533161281817908684231058 | 2025-04-16T16:31:33 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 3.4758 | unknown | 0.04208 | null | null | null | null | null | CO_1177786143073491697052673 | 11777861430734916970526737683022113805233143695617009720702393103094194219387012834057363408453983819201634315961530979794426041478707530907469924827706965 | 4962465871020717033912311939595189244838249356820408827613523037089146099227220397503052525771374413666157197047174768194697007072819646635030423269523035 | [
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[
0.01483437,
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[
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[
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[
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[
2.29418701,
6.8780779,
2.3108586
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[
6.86557391,
2.31713897,
2.... | [
true,
true,
true
] | Al18Ga14O48 | Al9Ga7O24 | A24B9C7 | [
"Al",
"Ga",
"O"
] | [
0.225,
0.175,
0.6
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8,
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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_3622871076160863138968043 | 3622871076160863138968043987590287263780094739510676364374803497391868423180624984348641990066707131612048175876573362109815332900156112664980728948727296 | 2025-04-16T17:41:23 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.1192 | unknown | 0.02868 | null | null | null | null | null | CO_1018708881203638931876447 | 1018708881203638931876447945780669757411236892495200105977233869054894713743771771483800680754678697728494450225929998375306402261908713688859984467784232 | 11831222799347283055507962648231766435337806936978164451743021308847971615449543288292426047691632216455084210554243274793498127599832390524155383104590475 | [
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[
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24.54220063
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[
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[
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[
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[
3.38584868,
-0.00228691,
6.18523096
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[
3.40750128,
-0.007410... | [
true,
true,
true
] | Ga15In17O48 | Ga15In17O48 | A48B17C15 | [
"Ga",
"In",
"O"
] | [
0.1875,
0.2125,
0.6
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31,
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,
... | 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_3598722859906363751396393 | 3598722859906363751396393795444736920150655998005221577588053859958989802733066088357647066414930389465516187970873689590409751796144376485730167535013506 | 2025-04-16T16:00:34 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 3.3219 | unknown | 0.04372 | null | null | null | null | null | CO_5869341908990918674047261 | 586934190899091867404726185898595085858351165694638611071872633212799636340403836483498440589941169886929976915555849918382493889780468015935222594492242 | 11223088579244575565063618493795768154089067210326514957010709814846533728807453920970845428841183448494039686044765107580566037326641853036091500350691261 | [
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[
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[
0.04030357,
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] | [
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6.94116779,
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[
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[
2.32693821,
6.88870912,
2.34197352
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[
6.90891873,
2.24890182,
... | [
true,
true,
true
] | Al16Ga16O48 | AlGaO3 | A3BC | [
"Al",
"Ga",
"O"
] | [
0.2,
0.2,
0.6
] | [
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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,
... | 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_3643459189921451244125684 | 364345918992145124412568495269312044283993513468346212635313730174545956654024767583202680910320344989602547192397976295308073588116694049620096168523595 | 2025-04-16T18:49:39 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 0.9838 | unknown | 0.07476 | null | null | null | null | null | CO_3339003266588149448366077 | 3339003266588149448366077695156285127948713448306632570317992788934638942878905005964225646423555190676952488569517418988096185696499535295231705365298240 | 12742982493433142317447128957263874305790900773410136102260078935268016522831847534119922418845500007368924636930927042520733088014308847543197430981244458 | [
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[
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5.90007606,
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[
0.03413697,
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24.48009366
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] | [
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6.08100761
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[
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18.34955244
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[
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[
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18.3998054
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[
3.10945656,
0.00796745,
6.44391833
],
[
3.48694427,
-0.1625680... | [
true,
true,
true
] | Al2Ga13In17O48 | Al2Ga13In17O48 | A48B17C13D2 | [
"Al",
"Ga",
"In",
"O"
] | [
0.025,
0.1625,
0.2125,
0.6
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31,
31,
49,
49,
31,
49,
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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-194"
] | null | data/MD/0818/MD_8971123915224790780050818.json | null | null | null | {"input": {"band-gap": {"value": "tight"}}, "hash": "897112391522479078005081825423581428423727767536302739485007213427119013770078192004135667245475481965910082775139972640517966207403207876612736112382606", "id": "MD_8971123915224790780050818"} |
PO_3643972545674892866531540 | 3643972545674892866531540998004715086394339736968529397673758379035970975245531200670085639964317476347934795884434450558489143532569525317774832937422195 | 2025-04-16T20:57:06 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 4.0611 | unknown | 0.00912 | null | null | null | null | null | CO_8963567870794743419089749 | 8963567870794743419089749830561577408261592449445710815837723799632149802722885071463155530332319349484478394063652216370693416589591211301111612930248596 | 11041792317571187652533077404503780246823745422564818853681368820114488865929009258082253165793623851994728090146930158419277483375627654229990414960937851 | [
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[
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10.579131,
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1.401308
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[
10.578719,
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[
22.529437,
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[
22.545185,
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1.716642
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[
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4.38863
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[
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2.930439,
4.383811
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[
11.... | [
true,
true,
true
] | Al30Ga2O48 | Al15GaO24 | A24B15C | [
"Al",
"Ga",
"O"
] | [
0.375,
0.025,
0.6
] | [
13,
13,
13,
31,
13,
31,
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13,
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13,
13,
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8,
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8,
8,
8,
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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-12"
] | null | data/MD/0818/MD_8971123915224790780050818.json | null | null | null | {"input": {"band-gap": {"value": "tight"}}, "hash": "897112391522479078005081825423581428423727767536302739485007213427119013770078192004135667245475481965910082775139972640517966207403207876612736112382606", "id": "MD_8971123915224790780050818"} |
PO_3649674425962098102521696 | 3649674425962098102521696794669296694739950742384015550596242848432318732337674795467589420515238608170833302425919544682145969269615991367638865900284219 | 2025-04-16T20:31:48 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 3.6343 | unknown | 0.03804 | null | null | null | null | null | CO_1309896801597582891704987 | 13098968015975828917049870733687306356179485248908696261111163536800155359301069315209095510043139032783587088066445095178251856728455833053224545301254709 | 1772293385563835415158252554732585152327974882766246851281815959958373688880186841860222795016393435020652286672207808927785261900965666697405438335684164 | [
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[
0.00013831,
9.15685859,
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],
[
-0.00460258,
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9.15697638
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] | [
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6.8531122,
2.28919073,
6.89883649
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[
2.36084937,
6.89628611,
6.84281371
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[
6.83782112,
6.89138778,
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[
6.85234841,
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6.85236861
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[
2.34252235,
6.90191196,
2.2653698
],
[
6.8373818,
2.2951684,
2.2... | [
true,
true,
true
] | Al19Ga13O48 | Al19Ga13O48 | A48B19C13 | [
"Al",
"Ga",
"O"
] | [
0.2375,
0.1625,
0.6
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13,
13,
13,
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-206"
] | null | data/MD/0818/MD_8971123915224790780050818.json | null | null | null | {"input": {"band-gap": {"value": "tight"}}, "hash": "897112391522479078005081825423581428423727767536302739485007213427119013770078192004135667245475481965910082775139972640517966207403207876612736112382606", "id": "MD_8971123915224790780050818"} |
PO_3633301335832687250241582 | 363330133583268725024158203100237974291465550733100070356525617370991003151315247257183928303155009910214914967491915622930771571419594943482237902493774 | 2025-04-16T16:22:12 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 2.8139 | unknown | 0.02908 | null | null | null | null | null | CO_1259984620635699123028399 | 12599846206356991230283995434793449571461329178739593160905004709375160085713550345703276290748683371305934146243477014760067217713528150130450174795220131 | 11340013016152268676171631805124691873544172930013578214985548061887639226128902893242380832238079351448231191473982213455222936841817472756784295540097742 | [
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[
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[
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0.00434713,
8.80302239
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[
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0.00590483,
11.63375013
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[
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0.00259376,
4.83264447
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[
2.50299881,
1.44463554,
6.50590636
],
[
2.49192226,
1.44819899... | [
true,
true,
true
] | Al2Ga10O18 | AlGa5O9 | A9B5C | [
"Al",
"Ga",
"O"
] | [
0.06666666666666667,
0.3333333333333333,
0.6
] | [
31,
13,
31,
31,
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
] | 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"} |
PO_3631553294249530397889251 | 3631553294249530397889251461696971220372894468995468274669046873348177071244219314848918155892447276470555481970605122070936145511031713555501515003630713 | 2025-04-16T21:38:17 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 4.2385 | unknown | 0.01744 | null | null | null | null | null | CO_3045171741846746895910459 | 3045171741846746895910459758643082420084130594391347655234859271607787198442391169618684361955791447618726624005307165598634027817848664999900798161836775 | 9886281277406192219422074887909292348150848359620093471439478862285528197839650540515355202104116739712473381505742174436494153309608345511750033866866501 | [
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[
0.030293,
8.446433,
0.005214
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[
0.025097,
0.018254,
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[
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[
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[
1.556273,
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2.618042
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[
4.021678,
... | [
true,
true,
true
] | Al14Ga2O24 | Al7GaO12 | A12B7C | [
"Al",
"Ga",
"O"
] | [
0.35,
0.05,
0.6
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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_3650379263239944949932850 | 3650379263239944949932850994963380074916914417423730525724977944881923210978739433999698903857786965642025276061353369606687540588693748868921324192215407 | 2025-04-16T15:44:32 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.8474 | unknown | 0.09188 | null | null | null | null | null | CO_8536415772486062598092621 | 853641577248606259809262109439995953014914947112514641244193098027837715950237446878240280376677386294885111371031952048250921920189127130772771044339397 | 9870177906886106633310816118850575988905848800334663962542024240253371773028623601249994738210806566344191079209071704245609365932186308702165618136450713 | [
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25.10150137,
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[
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6.27506924,
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[
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5.80164326
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11.23159705,
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[
11.26211164,
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[
23.73557136,
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[
0.00868085,
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4.73841498
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[
-0.05305213,
3.06728... | [
true,
true,
true
] | Al14Ga8In10O48 | Al7Ga4In5O24 | A24B7C5D4 | [
"Al",
"Ga",
"In",
"O"
] | [
0.175,
0.1,
0.125,
0.6
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49,
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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_3652650563531284342707248 | 3652650563531284342707248027537898143498924483999390533573755273906378170892219222685604975231240221075163389216136271755151654918974199864409647376286007 | 2025-04-16T17:48:35 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.725 | unknown | 0.06464 | null | null | null | null | null | CO_9373877025794765044067603 | 9373877025794765044067603392166423494612604622308813028585034698601017682024730297667248425756432538580678565510322703287771554058822934920078661844454863 | 3197260673857840848037135670646897655182675927642102966969034064341211852427344894341075554137473044580611368331381001498491351247611666556013672228223662 | [
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[
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[
0.04173023,
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] | [
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[
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[
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[
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[
2.43094989,
7.2181429,
2.43034907
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[
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2.41922388,
2... | [
true,
true,
true
] | Al3Ga20In9O48 | Al3Ga20In9O48 | A48B20C9D3 | [
"Al",
"Ga",
"In",
"O"
] | [
0.0375,
0.25,
0.1125,
0.6
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49,
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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_3658436664131550804660665 | 3658436664131550804660665848319643497498592328914266108754295374886880954806417063422344016849510992370337039694309658315499497943897175449772129184794650 | 2025-04-16T16:33:14 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.8387 | unknown | 0.05844 | null | null | null | null | null | CO_4487987795048628747926630 | 4487987795048628747926630806219123672109934306692175396329534798483057706796464817936981258680399620545148864474729955525939108313899506830091506010685531 | 4246676874102365149895139858232985294842476584888312875613754298380665234789893588442610716744945674954786502724112676434116424069000768928324948557779867 | [
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9.56447518,
0.02167093
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[
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] | [
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[
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[
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[
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[
2.34302284,
7.21605563,
2.43095938
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[
7.22706528,
2.42910964,
... | [
true,
true,
true
] | Al3Ga22In7O48 | Al3Ga22In7O48 | A48B22C7D3 | [
"Al",
"Ga",
"In",
"O"
] | [
0.0375,
0.275,
0.0875,
0.6
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49,
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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_3689166985412994906593250 | 3689166985412994906593250249779908112768021506136250100137279291012093522834992084153475692926998858368109675718987553284689488931756720471058127764581991 | 2025-04-16T19:57:22 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.9085 | unknown | 0.1142 | null | null | null | null | null | CO_5033183351203323585758479 | 5033183351203323585758479887485839654308353959599789548502603371059784450232853827034204864188723724238948898556081816358868838045038643682128103791871868 | 7887606418625337438075495040355916551823928202828823338355203976156786318489578168965819559782370632707392312362034514267864795112647414455331737740052635 | [
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[
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[
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9.58847748
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] | [
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1.5505004,
7.67993632,
6.6308242
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[
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7.48768976,
6.43717733
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[
3.69326109,
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1.99107445
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[
8.7118295,
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[
1.00483636,
3.17865736,
1.95424548
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[
6.42297034,
3.48405561,
1... | [
true,
true,
true
] | Al16Ga5In11O48 | Al16Ga5In11O48 | A48B16C11D5 | [
"Al",
"Ga",
"In",
"O"
] | [
0.2,
0.0625,
0.1375,
0.6
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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-33"
] | null | data/MD/0818/MD_8971123915224790780050818.json | null | null | null | {"input": {"band-gap": {"value": "tight"}}, "hash": "897112391522479078005081825423581428423727767536302739485007213427119013770078192004135667245475481965910082775139972640517966207403207876612736112382606", "id": "MD_8971123915224790780050818"} |
PO_3691411902587512957839246 | 3691411902587512957839246745398032881991116539918084111028999115300556866615998519089136560771716359910879593261605561986379368818381476470654858972657538 | 2025-04-16T21:14:40 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 3.3825 | unknown | 0.02848 | null | null | null | null | null | CO_9261723535333679246443210 | 9261723535333679246443210421717192616330393284917488538502355086301241478267194870548497658027011002161006265654096374406795156820816980528721351995891605 | 4395008047693113962394178591496656296408052428701986636160905317441922545948869378740719039393925300681623979987631428490186268460354677764733455159502144 | [
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[
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[
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] | [
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[
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[
2.47694088,
1.42550984,
6.4676815
],
[
2.4745761,
1.4252516... | [
true,
true,
true
] | Al5Ga7O18 | Al5Ga7O18 | A18B7C5 | [
"Al",
"Ga",
"O"
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0.16666666666666666,
0.23333333333333334,
0.6
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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"} |
PO_3662106574564689995770791 | 366210657456468999577079155428345305927404701502611458240125695423027842830961742912953231410881361181351819601185701572194410406694597098101421217239658 | 2025-04-16T19:49:42 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 3.6662 | unknown | 0.0272 | null | null | null | null | null | CO_3018307824465550365583473 | 3018307824465550365583473029691086286196502603700921112530232522597523061598121778577135789248684663061483296243892178794264978571698153122372174725541843 | 303885863773303684229867369729893815750045886792749853271629979407030220004429155302803330917187812487479081752440528199418091104387136139186112756468247 | [
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[
0.030415,
8.533933,
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[
0.014468,
0.024867,
9.145942
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] | [
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0.931037,
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[
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[
1.572231,
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[
3.432989,
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0.038713
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[
3.447896,
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7.200728
],
[
1.593285,
7.176085,
2.550964
],
[
4.053883,
... | [
true,
true,
true
] | Al11Ga5O24 | Al11Ga5O24 | A24B11C5 | [
"Al",
"Ga",
"O"
] | [
0.275,
0.125,
0.6
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13,
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"} |
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[
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[
0.014287,
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[
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[
3.402611,
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0.837611,
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1.777459
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[
5.961353,
3.036189,
1.809681
],
[
4.229777,
... | [
true,
true,
true
] | Al8Ga24O48 | AlGa3O6 | A6B3C | [
"Al",
"Ga",
"O"
] | [
0.1,
0.3,
0.6
] | [
31,
31,
31,
13,
31,
31,
31,
31,
31,
31,
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... | 80 | 3 | 3 | [
1,
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PO_3676400285855602439422537 | 3676400285855602439422537667598462251071299780250951214246925339565402413474508471427141501893847725958253322189747742390237530537188088336046629288144064 | 2025-04-16T22:04:30 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.542 | unknown | 0.10952 | null | null | null | null | null | CO_8568831250525454996445742 | 856883125052545499644574257891353473222089905363550903604125859791792339198647431929951653936200065157019108842947002584334661991690615078615290333398949 | 4470663318405334570983911218404393324118916136303881901459275829587588504056283465321248640792302019087014717252321457283473114149140661777043509490073784 | [
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[
-0.0212... | [
true,
true,
true
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0.05,
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PO_3679130953496863475702987 | 3679130953496863475702987193346711116213751515985136742456317442581694092775653254523341468245168666574634086089238274482574294826753815899379939473051725 | 2025-04-16T19:57:47 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.1567 | unknown | 0.14076 | null | null | null | null | null | CO_1829076962128434824906029 | 1829076962128434824906029931641333217978907328276719620503509615302888315095791961493840685151859626663637071775972176961622608600279890811274644285646487 | 13300003517823165907764269119047595957654529041265659979352978682797327311934950915601432536222491175955113454391351617955016975263204966416030809088750345 | [
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[
3.08035516,
0.13036705,... | [
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true,
true
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PO_3679072941850810404556397 | 3679072941850810404556397240569770549357979082178831868116291881480194109317468414105975199289898973431961071759645507648914309168615158541907788241975302 | 2025-04-16T17:09:36 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.1209 | unknown | 0.1144 | null | null | null | null | null | CO_1203263743364890206609835 | 12032637433648902066098354965530416355092546260507798104548191905285807257517084879833224057320843935648558265502950080231750136556715676280756309122995718 | 10192272156080246898123228449216751698858576467409334299629186752979087330888070452384801438558930719587594356501534299853116868541713246424741088862393731 | [
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[
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... | [
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true,
true
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[
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2.521674... | [
true,
true,
true
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] | 40 | 3 | 3 | [
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[
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3.139394,... | [
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true,
true
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[
3.42573287,
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true,
true
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true
] | Al3Ga4In5O18 | Al3Ga4In5O18 | A18B5C4D3 | [
"Al",
"Ga",
"In",
"O"
] | [
0.1,
0.13333333333333333,
0.16666666666666666,
0.6
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31,
49,
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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
] | 30 | 4 | 3 | [
1,
1,
1
] | [
"sg-167"
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PO_3694423413301767510755549 | 3694423413301767510755549707303255053598353051539092138814993707842973990850902267875033211323390016316358591728682275739672378685394561079471072410777202 | 2025-04-16T15:44:05 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.9414 | unknown | 0.11884 | null | null | null | null | null | CO_6165957909084461848922654 | 6165957909084461848922654835703950497107879130166223764914387552200801083306313133723858980056550836513461625308199360219892343685321867888204266897769793 | 4508599667561072527573443552182105615181715304641312472086833595066717730326140765891787000863878512085696549084308191362222076935831425885529149668741537 | [
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[
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[
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1.43720433,
7.48453875
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[
1.45999871,
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... | [
true,
true,
true
] | Al9In7O24 | Al9In7O24 | A24B9C7 | [
"Al",
"In",
"O"
] | [
0.225,
0.175,
0.6
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] | 40 | 3 | 3 | [
1,
1,
1
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"sg-33"
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PO_3695374035743041362098078 | 369537403574304136209807828260298588410557600679192388454516176198684944982647989279986216098091267865223617061409759238444352060910677540713663725746844 | 2025-04-16T16:06:08 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 2.1632 | unknown | 0.08316 | null | null | null | null | null | CO_1137293141939246898066905 | 11372931419392468980669051145697276986509309789670137123742067262632287539480723653614802578338308714577636483662973708301070064063016007824111157132466607 | 2652503050194211933004045183759777571037928836973250070863609941933580250580678025668813236517844964508302908422900247782710401069585904893583404929620535 | [
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[
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[
0.02159518,
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[
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[
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7.04353698,
2.37758357
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[
7.1564753,
2.32944113,
2... | [
true,
true,
true
] | Al11Ga12In9O48 | Al11Ga12In9O48 | A48B12C11D9 | [
"Al",
"Ga",
"In",
"O"
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0.1375,
0.15,
0.1125,
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8,
8,
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8,
8,
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1,
1,
1
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"sg-206"
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[
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[
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true,
true,
true
] | Al2Ga5In9O24 | Al2Ga5In9O24 | A24B9C5D2 | [
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"Ga",
"In",
"O"
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0.05,
0.125,
0.225,
0.6
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"sg-227"
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[
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[
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[
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[
2.4700255,
1.43536589,
6.40694868
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[
2.47571804,
1.43594993,
... | [
true,
true,
true
] | Al6Ga6O18 | AlGaO3 | A3BC | [
"Al",
"Ga",
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] | [
0.2,
0.2,
0.6
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13,
13,
31,
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8,
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8,
8,
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8,
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8
] | 30 | 3 | 3 | [
1,
1,
1
] | [
"sg-167"
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PO_3710252331964983535470951 | 3710252331964983535470951339403772250186259000366110737185264100979502299995719099745796394166004500468568066627389317272628944427403629649284049127046340 | 2025-04-16T18:21:24 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 0.904 | unknown | 0.09688 | null | null | null | null | null | CO_9837098888933921139312661 | 9837098888933921139312661696978258458286659886500035312058156624476039382584136946776980397169207276082294282358709684251734760116424611725647238773265971 | 7547083974770917803187210824395289503219439860254548614871649299730744073824242656363913852403260694833855009499267904507302327867402928403101258213043633 | [
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[
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[
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[
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3.7981983,
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[
1.06668571,
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... | [
true,
true,
true
] | Al2Ga2In12O24 | AlGaIn6O12 | A12B6CD | [
"Al",
"Ga",
"In",
"O"
] | [
0.05,
0.05,
0.3,
0.6
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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"} |
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[
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0.0000667,
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[
3.12282678,
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... | [
true,
true,
true
] | Al25Ga7O48 | Al25Ga7O48 | A48B25C7 | [
"Al",
"Ga",
"O"
] | [
0.3125,
0.0875,
0.6
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
... | 80 | 3 | 3 | [
1,
1,
1
] | [
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[
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[
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[
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2.655346... | [
true,
true,
true
] | Al6Ga5In5O24 | Al6Ga5In5O24 | A24B6C5D5 | [
"Al",
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8,
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] | 40 | 4 | 3 | [
1,
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3.11562923,
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[
3.15680591,
-0.0286116... | [
true,
true,
true
] | Al19Ga13O48 | Al19Ga13O48 | A48B19C13 | [
"Al",
"Ga",
"O"
] | [
0.2375,
0.1625,
0.6
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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_3725044140464002586987105 | 3725044140464002586987105300389300285542069598531077032220653282959717796987785991197814305200734114588592274033494291190674058524250068153158875384669672 | 2025-04-16T21:09:01 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 2.6614 | unknown | 0.10108 | null | null | null | null | null | CO_7285245388694163984786873 | 728524538869416398478687317288591308131105540663552464718064086408323630455484223846040506341607535149338969811569814004541800478620175912639977855703241 | 2903251236602866119768622443931623430764896099003980899645034553987688668541378947002258005946083786448656096118895977352662277151088653423946209051934470 | [
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[
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[
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1.48879762,
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[
2.55690054,
1.4903061,
... | [
true,
true,
true
] | Al7GaIn4O18 | Al7GaIn4O18 | A18B7C4D | [
"Al",
"Ga",
"In",
"O"
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0.23333333333333334,
0.03333333333333333,
0.13333333333333333,
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] | 30 | 4 | 3 | [
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"sg-167"
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PO_3727545297525095583666827 | 3727545297525095583666827185329591217056817010089313115126575768648357577169995490184405967564598229484567278314746280200917347772768138512017939898328700 | 2025-04-16T15:42:59 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 0.4969 | unknown | 0.15052 | null | null | null | null | null | CO_7625383129899493310721937 | 7625383129899493310721937503414909615401574297267001958220700290914191931793053967454778121247987420890962567676940521563521481536578900247535354211296845 | 7441964125712766395285273674308180240209138274125499822309947248749440247360226316267076404109021740376075095792708610063940373306058177379432107908135115 | [
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[
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[
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5.43944316
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[
1.92846571,
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... | [
true,
true,
true
] | AlGa5In10O24 | AlGa5In10O24 | A24B10C5D | [
"Al",
"Ga",
"In",
"O"
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0.025,
0.125,
0.25,
0.6
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8,
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] | 40 | 4 | 3 | [
1,
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"sg-227"
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PO_3727192468099714780929315 | 3727192468099714780929315269664059210373479501281453470548855746771934059580721132984712804492626952627547603115366383023382840189032615973262460520369379 | 2025-04-16T15:40:09 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 2.4457 | unknown | 0.05876 | null | null | null | null | null | CO_9081157807634880815315202 | 9081157807634880815315202847245792086531512753651641607587962870505503385435657729175042639921610898827765665732658443021377765005575596929770882792151770 | 6349966103824435261625257704373690546414365201087120900185156509218366150732575405213974621423646630051530328618968868375037003036642005344418518320532130 | [
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[
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[
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0.00068044,
4.56623921
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[
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3.061527... | [
true,
true,
true
] | Al19Ga7In6O48 | Al19Ga7In6O48 | A48B19C7D6 | [
"Al",
"Ga",
"In",
"O"
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0.2375,
0.0875,
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... | 80 | 4 | 3 | [
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PO_3731884369497755898307682 | 3731884369497755898307682198029635696973462627225213538396966144076196444297806961119301054158593390309715278606035693565968912666466192160445965039017795 | 2025-04-16T21:52:07 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 2.2224 | unknown | 0.11252 | null | null | null | null | null | CO_1136241950283867293268354 | 11362419502838672932683549272991176196283406251652628576960562789116432040913806425236649413108326276524615040720364643209737988490032809897437050471674883 | 5911211575028201201716110437871946390285062147536747196326209626397984984517753195661133503108345050311250262174669226757046195236868311364039637671736990 | [
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[
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[
0.00300597,
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13.88223893
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[
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[
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[
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1.50798102,
6.63230226
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[
2.59388705,
1.50815719,
... | [
true,
true,
true
] | Al5Ga2In5O18 | Al5Ga2In5O18 | A18B5C5D2 | [
"Al",
"Ga",
"In",
"O"
] | [
0.16666666666666666,
0.06666666666666667,
0.16666666666666666,
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[
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[
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[
2.46822353,
1.44883624,
6.48105703
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[
2.46327417,
1.4570656... | [
true,
true,
true
] | Al5Ga7O18 | Al5Ga7O18 | A18B7C5 | [
"Al",
"Ga",
"O"
] | [
0.16666666666666666,
0.23333333333333334,
0.6
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31,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 30 | 3 | 3 | [
1,
1,
1
] | [
"sg-167"
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[
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[
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[
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[
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[
3.62278439,
1.4967964,
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[
1.5617896,
8.03362615,
... | [
true,
true,
true
] | Al2Ga3In11O24 | Al2Ga3In11O24 | A24B11C3D2 | [
"Al",
"Ga",
"In",
"O"
] | [
0.05,
0.075,
0.275,
0.6
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 40 | 4 | 3 | [
1,
1,
1
] | [
"sg-33"
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[
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[
3.12491413,
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5.91033787
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[
3.14665704,
-0.0237745... | [
true,
true,
true
] | Al16Ga16O48 | AlGaO3 | A3BC | [
"Al",
"Ga",
"O"
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0.2,
0.2,
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
] | [
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[
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3.877482
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[
1.547536,
1.524448,
1.798243
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[
3.36214... | [
true,
true,
true
] | AlGa7O12 | AlGa7O12 | A12B7C | [
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0.05,
0.35,
0.6
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31,
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8,
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8,
8,
8,
8,
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8
] | 20 | 3 | 3 | [
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PO_3760107805724189727174608 | 3760107805724189727174608526695075592590288709536446697625043495354161983031123527283631856235316951940311048191795750605846896734761135783865381303214091 | 2025-04-16T21:22:40 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.2822 | unknown | 0.068 | null | null | null | null | null | CO_7548728626944030019947764 | 754872862694403001994776471356655119789425648834662842148658469371457476030865678959168654684714381184373799523284273799433810963043035359352459683723934 | 8399922756151438467049252415559867756092561985552906251506508177722737666139501839288839902933773676373573781792887218224021373686218268142956778384921072 | [
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[
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... | [
true,
true,
true
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"Al",
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"In",
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8,
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... | 80 | 4 | 3 | [
1,
1,
1
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"sg-206"
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PO_3760778182831886367768568 | 3760778182831886367768568755942983024468860132995351516670063818041898674417699013703827325663227695801427802361091147662549302514964966067249839820320988 | 2025-04-16T16:04:57 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 2.6423 | unknown | 0.08796 | null | null | null | null | null | CO_8822127998490070493572481 | 8822127998490070493572481692513101752825196137604698954171376484366632873397853085494194872676649395446552389742427405548420017905257328637039696309442381 | 10909337664192282509101216217033262450162273636244742477369552774455298602781041438769752339577609871157462824388059692096871308581629545669692134123747799 | [
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[
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... | [
true,
true,
true
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"Al",
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"O"
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0.2125,
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... | 80 | 4 | 3 | [
1,
1,
1
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"sg-206"
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[
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... | [
true,
true,
true
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0.1375,
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8,
8,
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8,
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8,
8,
8,
8,
... | 80 | 4 | 3 | [
1,
1,
1
] | [
"sg-33"
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PO_3763295945190022125703720 | 3763295945190022125703720655741113456151205159045798154140214288806702565405010899330381660034500761031617706528393326691992855077570969371408033364981934 | 2025-04-16T21:13:01 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 2.3867 | unknown | 0.0868 | null | null | null | null | null | CO_6862910554843903984383768 | 6862910554843903984383768862370827379761878035765587361852004974574068311003987217221931914818191016929673975301171617515349951767537270893137082801077845 | 9467384839081854994911384639606487275217675117204608832458520797626025072037761444177282659694333172103529600340793733759455735515668615140207108509359883 | [
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2.3660305,
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2.48792953
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[
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2... | [
true,
true,
true
] | Al14Ga10In8O48 | Al7Ga5In4O24 | A24B7C5D4 | [
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8,
8,
8,
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... | 80 | 4 | 3 | [
1,
1,
1
] | [
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PO_3273487505236260455728692 | 3273487505236260455728692757170666458476764010707188921151170607340982478241458343108596180078181483370335176210803210423022348161391293233634470166101457 | 2025-04-16T15:18:43 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 2.4779 | unknown | 0.08828 | null | null | null | null | null | CO_2429139238826993899435506 | 2429139238826993899435506324408660000497773145669915658171410772773926836379594559343521396434962426881239827847170944447812004325382748192697834227732738 | 12332677829072066200560834342072699225380609245200505334922771268937714685191963400413208314327076432538521963313844782358306617209055155633850056216391007 | [
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[
0.0585528,
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[
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2.2452836,
7.08028575,
2.24331189
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[
7.05318611,
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... | [
true,
true,
true
] | Al16Ga8In8O48 | Al2GaInO6 | A6B2CD | [
"Al",
"Ga",
"In",
"O"
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0.2,
0.1,
0.1,
0.6
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8,
8,
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... | 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"} |