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_1003193378369436728910520 | 1003193378369436728910520585469313954130434235436123178163997241477464359460167040568565814936654852425515883087003033674490207843046475291908039097507655 | 2025-04-16T21:56:50 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 2.1405 | unknown | 0.0794 | null | null | null | null | null | CO_4660355625904494284365539 | 4660355625904494284365539758017771147948457142115088630131773748650291465031631766717349388334515570977414460183185712733325731490558079258493354030448807 | 11092404263774872933753074553166176847613636755141440034079075628181279302726581313244803408906061950559316736174322523098740353032279744885865586518161802 | [
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1.43610885... | [
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true,
true
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[
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... | [
true,
true,
true
] | Al24Ga3In5O48 | Al24Ga3In5O48 | A48B24C5D3 | [
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"O"
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... | 80 | 4 | 3 | [
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3.1425023... | [
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true,
true
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true,
true
] | Al15Ga6In11O48 | Al15Ga6In11O48 | A48B15C11D6 | [
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true,
true
] | Al17Ga15O48 | Al17Ga15O48 | A48B17C15 | [
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[
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1.41665413... | [
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true,
true
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true,
true,
true
] | Al17Ga13In2O48 | Al17Ga13In2O48 | A48B17C13D2 | [
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8,
8,
8,
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8,
8,
8,
8,
... | 80 | 4 | 3 | [
1,
1,
1
] | [
"sg-33"
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PO_1001102514119008243955380 | 10011025141190082439553808151307135031565018797000839440678211994499729519791754278157771379764929511349825783952831606694916882198285730746435574243639961 | 2025-04-16T17:58:31 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 3.3594 | unknown | 0.00324 | null | null | null | null | null | CO_1361445210272275296158091 | 136144521027227529615809150493827741932266157776721857365178232877566097696999573926835679182695625554943078390770498288738970350507934526038702501532424 | 9388386315521628847817044388005828704238138584278783120275272331987323300894963410300865683754873006701680921949511870783846759817998218182676433608326738 | [
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[
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[
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[
11.95... | [
true,
true,
true
] | Al22Ga10O48 | Al11Ga5O24 | A24B11C5 | [
"Al",
"Ga",
"O"
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0.275,
0.125,
0.6
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31,
13,
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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_1001361397906272595658305 | 10013613979062725956583050022197642857930264354612380978737993209901139660561920748169963001344763652392376427629669769881351496825005186877226899773193993 | 2025-04-16T16:09:52 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 0.2064 | unknown | 0.14812 | null | null | null | null | null | CO_8683435658105483272907676 | 8683435658105483272907676467171553558821236670574943258985901176833694833054036981565439681475266947852516236087153335988178103132913982504653042340270399 | 9843453728619937684432306966587261900398188952211221445300156841507038029662575120029144453957501572864124933207982807042733912356516007085183737350011935 | [
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[
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15.15759885
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[
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[
2.40915071,
2.27339306,
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[
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0.25008043,... | [
true,
true,
true
] | Al5GaIn10O24 | Al5GaIn10O24 | A24B10C5D | [
"Al",
"Ga",
"In",
"O"
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0.125,
0.025,
0.25,
0.6
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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_1001511253694654642022669 | 10015112536946546420226695482150879472706760002290735464117981550271992543787554900969250473022422028514457197241895830805828489766591827356920149271114976 | 2025-04-16T21:29:37 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 0.9203 | unknown | 0.01592 | null | null | null | null | null | CO_1007198486981691408303980 | 10071984869816914083039808821130366421581984392134240609525034562877948779644299928587044130937017772194454562438804631867019704529191677844994699351342203 | 4804275397816013004914467753612960159565387908850996339176101950860753033941786728762924764646242248324832192202538504788719832104993657708836542310485113 | [
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[
0.00385316,
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[
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7.71210863,
2.61467388
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[
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2... | [
true,
true,
true
] | AlGaIn30O48 | AlGaIn30O48 | A48B30CD | [
"Al",
"Ga",
"In",
"O"
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0.0125,
0.0125,
0.375,
0.6
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8,
8,
8,
... | 80 | 4 | 3 | [
1,
1,
1
] | [
"sg-206"
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PO_1001641247177206443516149 | 10016412471772064435161491815962066405003828681644138959133743056681115450547589309464443566357062403696947473290725154835977881547516118567652965801479593 | 2025-04-16T21:23:51 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.0376 | unknown | 0.02908 | null | null | null | null | null | CO_6843682089277875025440843 | 684368208927787502544084377559458175494193773476796388388489769386422207685133296266806178389329875141527607471103966572916147547257305929296323963528397 | 10048181257205477686671102441772610740734708288779319755873112159156271735694887659155848609293211654797421820518387643478681517542373328413507349085491532 | [
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[
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[
0.01990896,
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10.17788971
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[
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7.70646218
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[
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[
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[
2.5693938,
7.62313977,
2.6091249
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[
7.66452295,
2.59611436,
2... | [
true,
true,
true
] | Al3In29O48 | Al3In29O48 | A48B29C3 | [
"Al",
"In",
"O"
] | [
0.0375,
0.3625,
0.6
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49,
49,
13,
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49,
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49,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
... | 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_4933553559989534355156622 | 4933553559989534355156622418655232559558480220119440241054801423220425126997658796222702188046341715412728146450593942272948825789964593104914145254754386 | 2025-04-16T20:26:29 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 3.1552 | unknown | 0.03128 | null | null | null | null | null | CO_5571292925034642583512587 | 5571292925034642583512587824628124094971890493299959221048125245905287732609661145582278441992044268007782950085921826207444062980219795806116707933050767 | 10314003408084980467991315131359067798732702707485574078766924113975593763472874285821949198411329855235873092458749952677933278488746181094136398171785669 | [
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[
0.00445062,
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2.06883974
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[
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8.65635952
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[
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[
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[
2.48495989,
1.45083544,
6.43483249
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[
2.48713966,
1.45550437,
... | [
true,
true,
true
] | Al4Ga8O18 | Al2Ga4O9 | A9B4C2 | [
"Al",
"Ga",
"O"
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0.13333333333333333,
0.26666666666666666,
0.6
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31,
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13,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 30 | 3 | 3 | [
1,
1,
1
] | [
"sg-167"
] | null | data/MD/0818/MD_8971123915224790780050818.json | null | null | null | {"input": {"band-gap": {"value": "tight"}}, "hash": "897112391522479078005081825423581428423727767536302739485007213427119013770078192004135667245475481965910082775139972640517966207403207876612736112382606", "id": "MD_8971123915224790780050818"} |
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[
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[
3.0287559,
1.51318043,
0.23502052
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[
3.07647183,
1.93796343,
... | [
true,
true,
true
] | Al2Ga9In5O24 | Al2Ga9In5O24 | A24B9C5D2 | [
"Al",
"Ga",
"In",
"O"
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0.05,
0.225,
0.125,
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"
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[
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3.15475755
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[
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[
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[
8.34292666,
2.07273656,
2.58927648
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[
11.36909526,
2.09912191,... | [
true,
true,
true
] | Al14GaInO24 | Al14GaInO24 | A24B14CD | [
"Al",
"Ga",
"In",
"O"
] | [
0.35,
0.025,
0.025,
0.6
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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
] | 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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[
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[
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[
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6.98027428,
2.32287047
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[
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2.27867511,
2... | [
true,
true,
true
] | Al15Ga11In6O48 | Al15Ga11In6O48 | A48B15C11D6 | [
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] | [
0.1875,
0.1375,
0.075,
0.6
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13,
49,
13,
13,
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... | 80 | 4 | 3 | [
1,
1,
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PO_4932499454001923473225149 | 4932499454001923473225149719377352774056103263758941977311041067345112368268656291788192580178781856982498161426858531079414776001138450872404394355488128 | 2025-04-16T18:54:05 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 2.0071 | unknown | 0.09884 | null | null | null | null | null | CO_6906377102538386685562194 | 6906377102538386685562194412187147381210940472054619226942965055339674505611557166281119506645746387134114768739106146763133330121151648396568519714243749 | 8952472900943641043526169346180061486645019222854572007785466185286667568020368211083629415895399779601389606351578927051328156178855227730920421065636433 | [
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[
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[
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true,
true
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"Al",
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0.1875,
0.6
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PO_4908299293815799611115188 | 4908299293815799611115188040600360512168418255808716563990423604915858429117854460129091013764948282969928544289294163581562345284073971297499758777048678 | 2025-04-16T20:41:30 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.8211 | unknown | 0.00556 | null | null | null | null | null | CO_4280598334892278849805490 | 4280598334892278849805490756193156274250997037300752654467523355082633459643268256928678285703459758061542360380750641829962893318850427564156626362347759 | 617596558748857743165820860225245185180693820622134890458091872819304438537681336752569649023831564122119640601169286213901623436768458467266137771513446 | [
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[
12... | [
true,
true,
true
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0.0375,
0.6
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PO_4916819373193588423079175 | 4916819373193588423079175185237964572091971786439591522582040918222421827599844292561529970419115550492251969760227538668460372565379902183125889057042699 | 2025-04-16T21:57:13 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 2.3311 | unknown | 0.09492 | null | null | null | null | null | CO_1595530334279494094924202 | 1595530334279494094924202342305165891761981198069415909919803712633173234012832818448090884436104555702373149076331530307557900476664423406474086553155918 | 8381743021224473566362272724360239306410642842804496913539951515527801815815564999941771127913644748179150339747381293626519724905064351967052865547858263 | [
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[
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[
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2... | [
true,
true,
true
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0.0625,
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[
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[
2.42528269,
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true,
true,
true
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0.1,
0.6
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[
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[
4.64708639,
0.2687033... | [
true,
true,
true
] | Al16Ga2In6O36 | Al8GaIn3O18 | A18B8C3D | [
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8,... | 60 | 4 | 3 | [
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[
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[
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... | [
true,
true,
true
] | GaIn31O48 | GaIn31O48 | A48B31C | [
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0.3875,
0.6
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[
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[
2.59331413,
1.460... | [
true,
true,
true
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0.6
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[
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... | [
true,
true,
true
] | Al4Ga5In23O48 | Al4Ga5In23O48 | A48B23C5D4 | [
"Al",
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"In",
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0.05,
0.0625,
0.2875,
0.6
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49,
49,
13,
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-206"
] | null | data/MD/0818/MD_8971123915224790780050818.json | null | null | null | {"input": {"band-gap": {"value": "tight"}}, "hash": "897112391522479078005081825423581428423727767536302739485007213427119013770078192004135667245475481965910082775139972640517966207403207876612736112382606", "id": "MD_8971123915224790780050818"} |
PO_1005694387273093241054998 | 10056943872730932410549987804780834905269305919058184078233905945386411882015220180082877488847671382765756476726566198753946582363519538048558757479569655 | 2025-04-16T18:38:16 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 4.5508 | unknown | 0.01852 | null | null | null | null | null | CO_8048309521640057962654727 | 8048309521640057962654727789619417258485985155257309175580605170188269310425611398210739867657415223270558861385952464388948274051483589572849513429305136 | 7763693989343570808541848918178977813279499403369570065888010239458088734043649748164745177673773598835219491525050984113999241829626049944491685606410904 | [
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9.814238,
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[
0.018021,
8.420382,
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[
0.025737,
0.010867,
9.063835
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] | [
[
1.60954,
7.14926,
6.293277
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[
6.520284,
7.121939,
6.276773
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[
3.332021,
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[
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[
5.790915,
2.907671,
1.73988
],
[
4.061254,
5... | [
true,
true,
true
] | Al30Ga2O48 | Al15GaO24 | A24B15C | [
"Al",
"Ga",
"O"
] | [
0.375,
0.025,
0.6
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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_4944340719684289555820148 | 4944340719684289555820148481375867893231176002871843127736089997850590212152481880752619721574322189104620530157936923750014715059342472061287252969254848 | 2025-04-16T18:44:42 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.8863 | unknown | 0.13388 | null | null | null | null | null | CO_4970347093866152962400967 | 4970347093866152962400967050488088690118247267696741523074512388549828852923437103585593082238428060593923591505114464317465221717288528307230038815421358 | 5678174310732227760261495408537989964348224003472577657233127315147543382668409306381625815481311661629569452267690884941413878970571871271763484837556481 | [
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[
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[
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14.64276125
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] | [
[
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13.85168175
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[
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[
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[
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[
2.88127295,
1.78643879,
0.22458325
],
[
3.03327563,
1.56878672,... | [
true,
true,
true
] | Al10Ga2In4O24 | Al5GaIn2O12 | A12B5C2D | [
"Al",
"Ga",
"In",
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] | [
0.25,
0.05,
0.1,
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8,
8,
8,
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8,
8,
8,
8,
8
] | 40 | 4 | 3 | [
1,
1,
1
] | [
"sg-227"
] | null | data/MD/0818/MD_8971123915224790780050818.json | null | null | null | {"input": {"band-gap": {"value": "tight"}}, "hash": "897112391522479078005081825423581428423727767536302739485007213427119013770078192004135667245475481965910082775139972640517966207403207876612736112382606", "id": "MD_8971123915224790780050818"} |
PO_4960473640019975283883334 | 4960473640019975283883334138661724791756849614378962023147753492324707129808613487648183448999050725515560368118422019437515088136088697310841271637080228 | 2025-04-16T16:45:28 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.4613 | unknown | 0.0788 | null | null | null | null | null | CO_1029797691562551990909565 | 10297976915625519909095654673770152603986072319400132875553157604643595877556300085970576148774296384822421419293042022985418026528856935802417053460762115 | 5236381217257919342911137627065131351511215070343960004819249273993696363349071082355277847173208733576476179649636128264685248774970666015820550138462204 | [
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[
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4.61342896,
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[
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14.24033602
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] | [
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[
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[
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[
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[
2.65617985,
1.61016234,
6.86684323
],
[
2.64709838,
1.62814665,... | [
true,
true,
true
] | Al2Ga2In8O18 | AlGaIn4O9 | A9B4CD | [
"Al",
"Ga",
"In",
"O"
] | [
0.06666666666666667,
0.06666666666666667,
0.26666666666666666,
0.6
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49,
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49,
49,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 30 | 4 | 3 | [
1,
1,
1
] | [
"sg-167"
] | null | data/MD/0818/MD_8971123915224790780050818.json | null | null | null | {"input": {"band-gap": {"value": "tight"}}, "hash": "897112391522479078005081825423581428423727767536302739485007213427119013770078192004135667245475481965910082775139972640517966207403207876612736112382606", "id": "MD_8971123915224790780050818"} |
PO_4962909280207736076149353 | 4962909280207736076149353872826939026605366958487226447720334992170862780282534834543349884108627299165879706971662671679681135194618587180503056757413143 | 2025-04-16T21:30:02 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 0.6784 | unknown | 0.17616 | null | null | null | null | null | CO_9612301895270185488273695 | 961230189527018548827369569844830389604781845926844003450682053652850834453302601373284446970202704214503435443931284018531951290280945274024824677760885 | 264474244870288042680421292120652239849472035007720536930788930781502953310389524746258938499181356811023491718918309550882145298875201451907507841441310 | [
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[
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6.05834679,
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],
[
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23.80234396
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] | [
[
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[
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17.68174326
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[
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[
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[
3.53971932,
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5.9181124
],
[
3.40885556,
0.05069199,
... | [
true,
true,
true
] | Al10In22O48 | Al5In11O24 | A24B11C5 | [
"Al",
"In",
"O"
] | [
0.125,
0.275,
0.6
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49,
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49,
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8,
8,
8,
8,
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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_4969512489845812751701519 | 4969512489845812751701519546610694003961191803120068175799012072398009805034980174641932849720458991278467369845393436121223818955133511474510196681784720 | 2025-04-16T17:18:49 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 2.3303 | unknown | 0.07428 | null | null | null | null | null | CO_7025325604708522559630282 | 7025325604708522559630282721895124836245644318430579342703096739398937200247165541743430315883977867043294383822431203456990284962356077504286749152697247 | 9978324797026554647753882802437107227938378113844009531746915636339042233361663884670658476944695575030775580137335491952924326521548012518704190484128624 | [
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[
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[
0.01787521,
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9.65205465
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] | [
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[
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[
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[
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0.07821775
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[
4.14911755,
1.51134797,
7.98918024
],
[
1.02320769,
7.64011459,
... | [
true,
true,
true
] | Al10In6O24 | Al5In3O12 | A12B5C3 | [
"Al",
"In",
"O"
] | [
0.25,
0.15,
0.6
] | [
13,
13,
13,
13,
13,
49,
49,
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49,
49,
49,
49,
13,
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13,
13,
8,
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8,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 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_4969728593125161952372054 | 4969728593125161952372054109429454733322694424639043859610122560622144359328263705784959618062192747415095727301152686244931859086801486725635843991188665 | 2025-04-16T21:27:46 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 4.9837 | unknown | 0.032 | null | null | null | null | null | CO_1186202411544457754741325 | 11862024115444577547413257807044477439194177791636791558483082615213805954570744068584399413814465457106021529925833065511308552143399285664889349196298182 | 8101479221933909332740168808532269047250234427140702762711044157453778315564653489464668516580528096947831137279594244645076406913220842675765513752560859 | [
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[
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[
0.026542,
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8.997594
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] | [
[
6.756214,
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[
2.240668,
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[
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[
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[
2.227497,
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2.248614
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[
6.742966,
2.273291,
2.233699
],
[
2.257689,
... | [
true,
true,
true
] | Al31GaO48 | Al31GaO48 | A48B31C | [
"Al",
"Ga",
"O"
] | [
0.3875,
0.0125,
0.6
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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,
... | 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_4959354522000159730990208 | 4959354522000159730990208862852102587772182644087657487501159147907489901188097483872613559630610077818689873506933576086451595644093223931696035716641348 | 2025-04-16T15:43:44 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 2.7189 | unknown | 0.08936 | null | null | null | null | null | CO_2832491154236537397637797 | 2832491154236537397637797397784358986854396683647245991827328466996477770898488089498093570871601092150823326940047699761800142082601170433932945125527947 | 11367112076092709422018100760395618694131440717302725312988750939445161456385057312457367406032732695360577179467389723698222266763084195036838342145101490 | [
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[
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4.40435688,
0.00031729
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[
0.00869558,
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] | [
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0.00133286,
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[
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[
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[
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[
2.54784258,
1.47855368,
6.46001475
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[
2.55171719,
1.48030556,
... | [
true,
true,
true
] | Al7GaIn4O18 | Al7GaIn4O18 | A18B7C4D | [
"Al",
"Ga",
"In",
"O"
] | [
0.23333333333333334,
0.03333333333333333,
0.13333333333333333,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 30 | 4 | 3 | [
1,
1,
1
] | [
"sg-167"
] | null | data/MD/0818/MD_8971123915224790780050818.json | null | null | null | {"input": {"band-gap": {"value": "tight"}}, "hash": "897112391522479078005081825423581428423727767536302739485007213427119013770078192004135667245475481965910082775139972640517966207403207876612736112382606", "id": "MD_8971123915224790780050818"} |
PO_4959449467611849367297118 | 4959449467611849367297118643879930340151432017445462472102479337467062680085594558760963092399409514593352746956730335189326089847490655827356799844631600 | 2025-04-16T20:32:46 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 0.8359 | unknown | 0.08508 | null | null | null | null | null | CO_1542017997707701660535028 | 1542017997707701660535028445602744022985678305386838725600600776315511099599556820121122865516144013488687151269537714253484133709719341130621864168231684 | 2562880727878694631977738786949306053762390739629163924252838207258580129094850458509779937286797731260616457691775739113118529921558794654413097976959368 | [
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[
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[
0.03229867,
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] | [
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1.01041034,
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[
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[
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[
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[
3.84291096,
1.76402109,
7.53368389
],
[
1.96028413,
8.11517613,
... | [
true,
true,
true
] | AlIn15O24 | AlIn15O24 | A24B15C | [
"Al",
"In",
"O"
] | [
0.025,
0.375,
0.6
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8,
8,
8,
8,
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8,
8,
8,
8,
8
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1,
1,
1
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PO_4968746540524971225655571 | 4968746540524971225655571363891125723817827074964502456702717773033311050202220647680236640689008575816213519487358531287881449603495132146067394196313734 | 2025-04-16T17:42:29 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.6725 | unknown | 0.11848 | null | null | null | null | null | CO_3786029419850417925993238 | 3786029419850417925993238578457006309960043441664883061321190972501473466863305801073542186735400616054591790051410860885261779384391494182551401508577914 | 6023283812254761481066942196091735695579710214808854240217170716332228716863854548369793094704292961827832966095704045665442973981925182473305838918762534 | [
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[
3.47295219,
0.118225... | [
true,
true,
true
] | Al15Ga8In9O48 | Al15Ga8In9O48 | A48B15C9D8 | [
"Al",
"Ga",
"In",
"O"
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0.1875,
0.1,
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... | 80 | 4 | 3 | [
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1,
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PO_4967215673873275256090421 | 496721567387327525609042105822040093552830961736256766209997081026242633706698434093592588714470727086728263411676124060454696446754529579872950487078114 | 2025-04-16T15:43:19 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 0.8714 | unknown | 0.06908 | null | null | null | null | null | CO_1074555291360616815515933 | 10745552913606168155159330997970921478679184252648893469074619251907854739918410478732846885592020635783295581266009436482246283877501319788368055925514705 | 8596240947372161405783408686384245339445743906496073173066077332405517858211893650981071423887318717010410781578908999892512407497506682387256126242109492 | [
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[
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2.566804... | [
true,
true,
true
] | Al6Ga8In2O24 | Al3Ga4InO12 | A12B4C3D | [
"Al",
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"O"
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0.2,
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] | 40 | 4 | 3 | [
1,
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"sg-227"
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[
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2... | [
true,
true,
true
] | Al17Ga3In12O48 | Al17Ga3In12O48 | A48B17C12D3 | [
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"Ga",
"In",
"O"
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0.2125,
0.0375,
0.15,
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... | 80 | 4 | 3 | [
1,
1,
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[
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true,
true,
true
] | Ga18In14O48 | Ga9In7O24 | A24B9C7 | [
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0.6
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1,
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[
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[
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... | [
true,
true,
true
] | Al13Ga8In11O48 | Al13Ga8In11O48 | A48B13C11D8 | [
"Al",
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"In",
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0.1625,
0.1,
0.1375,
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8,
8,
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... | 80 | 4 | 3 | [
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1,
1
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true,
true,
true
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0.1,
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] | [
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true,
true,
true
] | Al12Ga16In4O48 | Al3Ga4InO12 | A12B4C3D | [
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[
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[
5.0258704,
2.92780231,
18.21622375
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[
3.34325742,
0.00030689,
6.1907185
],
[
3.31902001,
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... | [
true,
true,
true
] | Ga16In16O48 | GaInO3 | A3BC | [
"Ga",
"In",
"O"
] | [
0.2,
0.2,
0.6
] | [
49,
49,
49,
49,
31,
49,
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8,
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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_1009627263299055402231968 | 10096272632990554022319682736544524577115474875169519277097238270846111029069277706684777339738186684985652448405015996808900040974663085627524253876527154 | 2025-04-16T15:44:09 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.3395 | unknown | 0.1626 | null | null | null | null | null | CO_8339746057945063465917842 | 8339746057945063465917842580412580053109690401369630039186963942992509950056579182752384092938178044033126703519004507360434165126543986660527476046285819 | 9809400191133340710883956195006799604968510813376405335912829161642758970529387022694258800790179561049484147112963721731238875890718035187263638743157895 | [
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[
0.04518413,
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3.2729098,
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6.24936125
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[
3.26706273,
0.2581611... | [
true,
true,
true
] | Al17Ga4In11O48 | Al17Ga4In11O48 | A48B17C11D4 | [
"Al",
"Ga",
"In",
"O"
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0.2125,
0.05,
0.1375,
0.6
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49,
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31,
49,
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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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[
0.05568228,
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[
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[
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[
2.46689862,
7.50307149,
2.45402162
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[
7.42025494,
2.45657969,
... | [
true,
true,
true
] | Al3Ga12In17O48 | Al3Ga12In17O48 | A48B17C12D3 | [
"Al",
"Ga",
"In",
"O"
] | [
0.0375,
0.15,
0.2125,
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
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"sg-206"
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[
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[
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[
1.11581381,
3.49389613,
1.51958337
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[
6.69240396,
3.50343726,
... | [
true,
true,
true
] | Al3Ga4In25O48 | Al3Ga4In25O48 | A48B25C4D3 | [
"Al",
"Ga",
"In",
"O"
] | [
0.0375,
0.05,
0.3125,
0.6
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
... | 80 | 4 | 3 | [
1,
1,
1
] | [
"sg-33"
] | null | data/MD/0818/MD_8971123915224790780050818.json | null | null | null | {"input": {"band-gap": {"value": "tight"}}, "hash": "897112391522479078005081825423581428423727767536302739485007213427119013770078192004135667245475481965910082775139972640517966207403207876612736112382606", "id": "MD_8971123915224790780050818"} |
PO_1007393740718795754459802 | 10073937407187957544598021095844595815860726486506760950199918238406400302677723602388655402064432866605665040008065999232806496835098134307094152639491369 | 2025-04-16T17:52:39 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 2.7554 | unknown | 0.05528 | null | null | null | null | null | CO_2882665558163590622106474 | 2882665558163590622106474916693357959686159092052091414783826376137521586745452363926546723206203807900874113421232216884728831320473261478414737407566271 | 1359566151819381994289887452572080261820696382930218213817479378753900087376925101635792705704738797840907132752329324168590836009974325842444315597596658 | [
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[
0.08307283,
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[
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[
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[
0.91297394,
2.99618151,
1.79161057
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[
5.9234467,
3.02802246,
1.... | [
true,
true,
true
] | Al16Ga13In3O48 | Al16Ga13In3O48 | A48B16C13D3 | [
"Al",
"Ga",
"In",
"O"
] | [
0.2,
0.1625,
0.0375,
0.6
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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_4436467129926889575437891 | 4436467129926889575437891728486905669068340049360542056878771895942452599131898255408315970801103253807404202734069563311814067812607922149929876553629019 | 2025-04-16T16:08:27 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 2.0183 | unknown | 0.0288 | null | null | null | null | null | CO_2368757870786843915428911 | 2368757870786843915428911776370689002647924918574157976295948473032356155391222434318111191740338919202351011444953861814413681021114141263398588175401953 | 3808143689580295594214034422398498276161406833943540082171197524130031262898007037872784397754323254748928761503860566103285195463516357088786271374866231 | [
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[
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11.543678,
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[
11.50754,
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[
23.818542,
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4.506029
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[
-0.015585,
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4.505883
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[
13.0... | [
true,
true,
true
] | Al8Ga16In8O48 | AlGa2InO6 | A6B2CD | [
"Al",
"Ga",
"In",
"O"
] | [
0.1,
0.2,
0.1,
0.6
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
... | 80 | 4 | 3 | [
1,
1,
1
] | [
"sg-12"
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PO_4983783602083334110411220 | 4983783602083334110411220437551710272014923045994341847512725272519525361575443811403059009209675834929936595452501782823070530688595251915761760458177795 | 2025-04-16T15:43:39 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 3.8912 | unknown | 0.08848 | null | null | null | null | null | CO_5299198933599320900302156 | 5299198933599320900302156217790945199732665290226044519286155604407049248193061567108662088486773926611186486839192251870860161953465567578619787800848748 | 3452716438291340231170705778115287695756103036589083740465719673344396381808773458404838950750209435356189060907554421843554817700446596442680664245344975 | [
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[
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[
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[
3.07251847,
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5.81396905
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[
3.09802467,
-0.014234... | [
true,
true,
true
] | Al30Ga2O48 | Al15GaO24 | A24B15C | [
"Al",
"Ga",
"O"
] | [
0.375,
0.025,
0.6
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13,
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8,
8,
8,
8,
... | 80 | 3 | 3 | [
1,
1,
1
] | [
"sg-194"
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PO_4981884217003137597449870 | 4981884217003137597449870018176885165857674697280499759415646908116756414661579306998621758420508529995664701058974016999469056080712380315738332766052398 | 2025-04-16T17:13:10 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 4.2124 | unknown | 0.0168 | null | null | null | null | null | CO_6215648326062413876775891 | 6215648326062413876775891242892274105116875582007971819192801982073324687488635473290359222655654020564738254961699248185782147480647418345430673724396168 | 4262163805789304000092296762675792982547573337139778241960076672368587391480391979265749441503053573471322942905780590180286738924482307387271486218702020 | [
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[
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[
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[
2.44030694,
1.42247853,
6.45317514
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[
2.43630527,
1.42654676... | [
true,
true,
true
] | Al8Ga4O18 | Al4Ga2O9 | A9B4C2 | [
"Al",
"Ga",
"O"
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0.26666666666666666,
0.13333333333333333,
0.6
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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_4977880276307419594341526 | 4977880276307419594341526176595075414788235497456610420757238327501070797387702377034765399118407845542820183619301083162485488301792965984442528443255232 | 2025-04-16T17:41:42 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 3.006 | unknown | 0.07308 | null | null | null | null | null | CO_1120283934286822993565297 | 11202839342868229935652973390352346310346171388034463735429521545940771735626460307274918108386743484569001676056573935057336513660832920295124570086715441 | 13192922230030620601629034744468031902541381420880532482264853373864583952972752062670917726760255886175707234768875247674561699753283067238725656180403741 | [
[
10.06756454,
0.07068188,
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[
0.03530705,
8.79885581,
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],
[
0.06221496,
0.01704662,
9.23013314
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] | [
[
1.71944584,
7.4253427,
6.40366974
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[
6.80683003,
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6.33320646
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[
3.52211973,
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[
8.43168124,
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[
0.81848488,
3.06750957,
1.75334326
],
[
6.11889964,
3.22935288,
... | [
true,
true,
true
] | Al22Ga5In5O48 | Al22Ga5In5O48 | A48B22C5D5 | [
"Al",
"Ga",
"In",
"O"
] | [
0.275,
0.0625,
0.0625,
0.6
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13,
49,
13,
13,
13,
31,
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49,
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49,
13,
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49,
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31,
8,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
... | 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_4977143852192479464144067 | 4977143852192479464144067209969419493651673972729336651145064719471384655544700513281853402850100751368470383947964585758921143886942232032382030610135168 | 2025-04-16T21:29:37 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 3.3453 | unknown | 0.14548 | null | null | null | null | null | CO_7161477654642035856468312 | 7161477654642035856468312262819138500816927939079441796856836651779145754204901147323923662972330457290601057244346757445828657235075365661391644142082023 | 12059384543854444988661249981574673552062598211098167400301406137611881893992619467090548292225846721906345161072772547578892235010258719546497163166095522 | [
[
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0.01097047,
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[
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5.34130871,
0.01897577
],
[
0.06550319,
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23.53198744
]
] | [
[
0.00756861,
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5.81023685
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[
0.05086626,
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17.61403165
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[
4.64520834,
2.67233278,
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[
4.67812434,
2.65329949,
17.59533858
],
[
3.11487419,
-0.00851003,
5.80673184
],
[
3.13150857,
-0.0184305... | [
true,
true,
true
] | Al29GaIn2O48 | Al29GaIn2O48 | A48B29C2D | [
"Al",
"Ga",
"In",
"O"
] | [
0.3625,
0.0125,
0.025,
0.6
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13,
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13,
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31,
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49,
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13,
13,
13,
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49,
8,
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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_4977004842126335044649566 | 4977004842126335044649566795514202902735238348542326564290967420878195707130611022428903109430078769454537191173596993999370042808329701059112202859273225 | 2025-04-16T20:09:34 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 4.1911 | unknown | 0.02128 | null | null | null | null | null | CO_3308860760723494708198010 | 3308860760723494708198010227018762491917066214036663251359704713222870618956476686094351779976467611536223934795961764309311597021466562250136618757317775 | 2448618684313727044665469093034258178557083961269035267603817940896531769500123905430716676333954973230018289781519664288919432651661410737005551952413259 | [
[
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0.01671807,
0.00308701
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[
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4.22976999,
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],
[
-0.00894525,
0.01565186,
13.31351157
]
] | [
[
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0.00235738,
2.01162281
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[
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0.01005608,
8.5168848
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[
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11.38204879
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[
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0.00558555,
4.68633138
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[
2.43820614,
1.42860544,
6.36453176
],
[
2.43391342,
1.43655962,... | [
true,
true,
true
] | Al8Ga4O18 | Al4Ga2O9 | A9B4C2 | [
"Al",
"Ga",
"O"
] | [
0.26666666666666666,
0.13333333333333333,
0.6
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31,
31,
13,
13,
31,
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31,
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8,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 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_4977398020482736681916473 | 4977398020482736681916473993426729294172026511462734883327431400962902086418229872266223485780863218141881665341371977613569682552713116754156404003861710 | 2025-04-16T22:04:30 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.9344 | unknown | 0.08576 | null | null | null | null | null | CO_1029191578612662335657771 | 10291915786126623356577718899932575289274881636183050730705872858690913777475645360926233415476266803864200848212937916302819988369197073595641346245264408 | 1484807587122698724543983436373975513115666194551470452439669631228311995930440438420265195547216173447210692046345313630073354714975803499988143062191564 | [
[
5.19417589,
0.04529189,
0.00576166
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[
-2.63644035,
4.47616045,
-0.01560998
],
[
-0.01653667,
0.0417592,
13.9590463
]
] | [
[
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0.00541348,
1.93176643
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[
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0.02706475,
9.02895248
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[
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0.03646208,
12.06138502
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[
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0.01432654,
4.85334621
],
[
2.57638092,
1.54162514,
6.53338108
],
[
2.56763015,
1.5633513... | [
true,
true,
true
] | Al2Ga6In4O18 | AlGa3In2O9 | A9B3C2D | [
"Al",
"Ga",
"In",
"O"
] | [
0.06666666666666667,
0.2,
0.13333333333333333,
0.6
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31,
31,
31,
31,
31,
31,
49,
49,
49,
13,
49,
13,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 30 | 4 | 3 | [
1,
1,
1
] | [
"sg-167"
] | null | data/MD/0818/MD_8971123915224790780050818.json | null | null | null | {"input": {"band-gap": {"value": "tight"}}, "hash": "897112391522479078005081825423581428423727767536302739485007213427119013770078192004135667245475481965910082775139972640517966207403207876612736112382606", "id": "MD_8971123915224790780050818"} |
PO_4988031297453382359623288 | 4988031297453382359623288667502862330443995797137312967820333831716130815289028767893599836253860621444965915413363921459710202239633753749905948233607954 | 2025-04-16T22:03:29 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 2.7543 | unknown | 0.04536 | null | null | null | null | null | CO_1084091991705989541620138 | 10840919917059895416201384048033458454382144764998909176704695653254311861423088123904791181760260896090306967862582758021344749380730244444153625702410602 | 9888773340043030124275040224087613556964116848379903093384436748973251192868004869318735861523254644547141539938381143710196020256278110932710949707453434 | [
[
10.04334175,
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],
[
0.00160839,
8.69412827,
0.03030346
],
[
0.02451696,
-0.00839459,
9.25554511
]
] | [
[
1.54376758,
7.45179876,
6.48011773
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[
6.64579909,
7.36608344,
6.39205396
],
[
3.40988489,
1.31918703,
1.79326869
],
[
8.39634184,
1.290984,
1.82043107
],
[
0.81666866,
2.97117737,
1.7902485
],
[
5.96737801,
3.01255619,
1... | [
true,
true,
true
] | Al16Ga14In2O48 | Al8Ga7InO24 | A24B8C7D | [
"Al",
"Ga",
"In",
"O"
] | [
0.2,
0.175,
0.025,
0.6
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13,
31,
31,
13,
31,
31,
49,
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13,
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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 | 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_4995966409745390772275993 | 4995966409745390772275993016874087824529483034592296848854921661754343031714177892684493201073685238860771113789030976708656789019109219041284465613535933 | 2025-04-16T17:43:28 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.9374 | unknown | 0.16924 | null | null | null | null | null | CO_1015548919983512897411725 | 1015548919983512897411725474229758835979495419360518321122225947770271513821291376233986839134849197574605921784426572855311952201318336848196333872935852 | 5132377074603373210797292816406532535172215945286629996197501382137097491211197826129793530069255809734497630082202772785079245246643552935790666395298646 | [
[
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[
4.92319228,
2.98263202,
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],
[
-0.8377663,
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14.68725291
]
] | [
[
0.00012536,
0.21423204,
13.71382845
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[
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1.25262196
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[
3.35173805,
0.58211651,
11.72018385
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[
5.47025103,
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2.36312857
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[
6.5311394,
0.31377119,
12.02585301
],
[
2.49931802,
-0.1322629... | [
true,
true,
true
] | Al10GaIn5O24 | Al10GaIn5O24 | A24B10C5D | [
"Al",
"Ga",
"In",
"O"
] | [
0.25,
0.025,
0.125,
0.6
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49,
31,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 40 | 4 | 3 | [
1,
1,
1
] | [
"sg-227"
] | null | data/MD/0818/MD_8971123915224790780050818.json | null | null | null | {"input": {"band-gap": {"value": "tight"}}, "hash": "897112391522479078005081825423581428423727767536302739485007213427119013770078192004135667245475481965910082775139972640517966207403207876612736112382606", "id": "MD_8971123915224790780050818"} |
PO_4994595497938337013472432 | 4994595497938337013472432413933490493605151952122132414371336235977831446306020971206985131290622437767010456375385848224796935634452065998576059476174467 | 2025-04-16T18:22:11 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 0.927 | unknown | 0.11184 | null | null | null | null | null | CO_8341565005696587740328163 | 8341565005696587740328163037568747084865974783007743964534785644620339752054424316063731372216013823017211677308287515727960867779811633239023488882207876 | 3441408243194499201509612954913287527807731277908120174444802623784262543712218207952873260362959468933180470445643047703411028266325912123017300698733057 | [
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[
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3.35093496,
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[
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0.31032826,
6.57787078
]
] | [
[
10.17360253,
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1.31728174
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[
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5.40507774
],
[
4.05143469,
2.18053491,
1.16396962
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[
6.01768557,
2.21802129,
5.47842379
],
[
8.90661098,
2.19235448,
4.36218679
],
[
1.09416954,
1.86809165,... | [
true,
true,
true
] | AlIn7O12 | AlIn7O12 | A12B7C | [
"Al",
"In",
"O"
] | [
0.05,
0.35,
0.6
] | [
49,
49,
49,
49,
13,
49,
49,
49,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 20 | 3 | 3 | [
1,
1,
1
] | [
"sg-12"
] | null | data/MD/0818/MD_8971123915224790780050818.json | null | null | null | {"input": {"band-gap": {"value": "tight"}}, "hash": "897112391522479078005081825423581428423727767536302739485007213427119013770078192004135667245475481965910082775139972640517966207403207876612736112382606", "id": "MD_8971123915224790780050818"} |
PO_4434140206585405444256902 | 4434140206585405444256902255882676612883079862023277622679254765692409318633571470123617798559963782505115055978667727094581950741178089365114292473406783 | 2025-04-16T16:03:23 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.5656 | unknown | 0.06704 | null | null | null | null | null | CO_5868407315121927035704814 | 586840731512192703570481434588686541897587315827401718020202018372241271041421632745508780788014584818005759633498732092428300187254312626005858428831592 | 5618232964680402310411258188389369993711090455212972552118225575994815514728756781708120699674255683666553741666822291472895964658858887118280655108385029 | [
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25.57820643,
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0.30137138
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[
0.00296284,
6.42012406,
0.00982654
],
[
-1.41894247,
0.0163752,
5.83932349
]
] | [
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11.21783408,
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1.27791279
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[
11.24301556,
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1.24760578
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[
24.1340872,
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1.51821398
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[
24.15135989,
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1.52767059
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[
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0.09436002,
4.6034275
],
[
0.023288,
3.15156332,
... | [
true,
true,
true
] | Al8Ga11In13O48 | Al8Ga11In13O48 | A48B13C11D8 | [
"Al",
"Ga",
"In",
"O"
] | [
0.1,
0.1375,
0.1625,
0.6
] | [
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31,
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49,
49,
13,
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
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true,
true
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true,
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0.1,
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49,
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true,
true
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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_1010964873356333536498458 | 10109648733563335364984589766349151900410351829113310351753323529423962901957755366210544062728815855205613809963938805185528527836133641674042049884661721 | 2025-04-16T16:07:32 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 3.3353 | unknown | 0.07132 | null | null | null | null | null | CO_2694647653952924015486634 | 2694647653952924015486634644667492139166017620758070803098000546330967077806185052140713641267670141577066691239721595777989808573867439483436400670137797 | 12055687426071438683461354238764722526932489527251684494150204340948364178178399120027575528064612921618037388214780727458503502916651039429416390272458535 | [
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[
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1.5674225,
7.04586204
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[
1.50407451,
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true,
true,
true
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"In",
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0.35,
0.05,
0.6
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1,
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PO_1011112212343910567621779 | 10111122123439105676217796167429348277087326546413389242787674201370378493924940599401184443302125005651132577252422503685755439195492959311787138680605851 | 2025-04-16T16:07:32 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.6363 | unknown | 0.09788 | null | null | null | null | null | CO_8913401034415301300069191 | 8913401034415301300069191601566466073148625864927154211570778460826104354480979278963986698865115936931510816105749998056223037624827553650446819980489337 | 10330119627775777560634029651609853158515832120967689830891375178083633496495612675571048272598164083524230257397548532744667658924391614942572180156548878 | [
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[
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5.67524474,
0.00462658
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[
0.05359547,
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24.2955109
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[
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[
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18.36682278
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[
3.28358586,
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6.02557484
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[
3.31385772,
0.07018805,... | [
true,
true,
true
] | Al12Ga8In12O48 | Al3Ga2In3O12 | A12B3C3D2 | [
"Al",
"Ga",
"In",
"O"
] | [
0.15,
0.1,
0.15,
0.6
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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_1011254969531245971999667 | 10112549695312459719996670183107181938511871299723106518674249933018894983047888276886236715791872600446508652659221458815710201496161356059127415055191630 | 2025-04-16T17:20:39 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 2.0661 | unknown | 0.102 | null | null | null | null | null | CO_6609242653270243429272783 | 6609242653270243429272783659718995589143493417129491749500933889450073837460510044157732142943730442575888428923738737349727813838987497176914961536394864 | 10788526828680978258853925044743499442897380248988919980407342522270933310524152509653512811168344165370720809527302878380893147513552960908025222620236265 | [
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[
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13.94184404
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[
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[
2.57024883,
1.54644046,
6.59212211
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[
2.55754634,
1.56495865... | [
true,
true,
true
] | Al4Ga3In5O18 | Al4Ga3In5O18 | A18B5C4D3 | [
"Al",
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"O"
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0.13333333333333333,
0.1,
0.16666666666666666,
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PO_1011376668833654839548049 | 10113766688336548395480499379882641969533977301229096564338482904976844751028496827438749051133739982673260599024554563348332858202342048686626998978257528 | 2025-04-16T19:03:57 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 3.5564 | unknown | 0.0564 | null | null | null | null | null | CO_5895554171065018646162398 | 5895554171065018646162398051578007363548267722904109896255085889410322947044365005316038669522564338210276103791013027991654036194950010867077069021932092 | 9779179825435369641698413220788868014427997865565641590694955366524540919222472649096381152397892715891514058904949695022968307188867377857355410973872942 | [
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[
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[
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[
2.48107398,
1.46086557,
6.45620245
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[
2.47603283,
1.4724146... | [
true,
true,
true
] | Al8Ga2In2O18 | Al4GaInO9 | A9B4CD | [
"Al",
"Ga",
"In",
"O"
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0.26666666666666666,
0.06666666666666667,
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8,
8,
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8,
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8
] | 30 | 4 | 3 | [
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[
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13.83615189
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[
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10.84098435
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[
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12.02077038
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[
8.30240702,
1.98482279,
2.46333156
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[
11.23068928,
1.9636248,... | [
true,
true,
true
] | Al15GaO24 | Al15GaO24 | A24B15C | [
"Al",
"Ga",
"O"
] | [
0.375,
0.025,
0.6
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13,
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31,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 40 | 3 | 3 | [
1,
1,
1
] | [
"sg-227"
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[
0.012754,
8.493817,
0.028998
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[
0.013902,
0.010502,
9.124636
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] | [
[
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[
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2.863434,
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[
1.559268,
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[
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[
3.436599,
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7.124005
],
[
1.578061,
7.184518,
2.646756
],
[
4.055915,
... | [
true,
true,
true
] | Al12Ga4O24 | Al3GaO6 | A6B3C | [
"Al",
"Ga",
"O"
] | [
0.3,
0.1,
0.6
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 40 | 3 | 3 | [
1,
1,
1
] | [
"sg-33"
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[
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2.98512915,
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[
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14.5984581
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] | [
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12.08550666,
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[
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11.47654885
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[
5.33429792,
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[
8.65766974,
2.35283764,
2.58288134
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[
11.91037517,
1.94622571,
... | [
true,
true,
true
] | Al9Ga2In5O24 | Al9Ga2In5O24 | A24B9C5D2 | [
"Al",
"Ga",
"In",
"O"
] | [
0.225,
0.05,
0.125,
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"} |
PO_4445216075746679664513723 | 4445216075746679664513723867372048400173311909851900083371849989764959360113336013584581943818354167365054154696247505254644357574640321592597213196351655 | 2025-04-16T21:09:01 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 2.3232 | unknown | 0.09048 | null | null | null | null | null | CO_8436289856455973981834129 | 8436289856455973981834129977040939919709750736625344363618556691930718815287725576365861465814374306776123854905740399726864500569107812542969025948802971 | 11594071554714773369715524411546781174243236814000409210311364728615125112359570522822860388549102737566215291229778107423973057583024501711549762205437659 | [
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[
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[
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] | [
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[
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[
2.57837237,
1.5261079,
6.48764606
],
[
2.57607901,
1.53086065... | [
true,
true,
true
] | Al6In6O18 | AlInO3 | A3BC | [
"Al",
"In",
"O"
] | [
0.2,
0.2,
0.6
] | [
49,
49,
13,
13,
49,
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13,
13,
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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"
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PO_4445039781569835611022760 | 4445039781569835611022760872737209817313374354344816434324166237394550786113783159069935055838646322363254901073688929762567844348348339990399749461565605 | 2025-04-16T20:40:01 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.246 | unknown | 0.04244 | null | null | null | null | null | CO_9230526862017558806660360 | 9230526862017558806660360144012375589637753364098443269103297581952607072630177640493536258048827363381406078387300237256864013612016348614065137915686264 | 831826988895196658471793199383869398631448532764976008070240796752285562641060854097215581797831020358228654600976296677191218149096726487754803160501308 | [
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[
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[
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true,
true,
true
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"Ga",
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0.2,
0.6
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[
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1.46558785,
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[
2.5209913,
1.47016488... | [
true,
true,
true
] | Al7Ga2In3O18 | Al7Ga2In3O18 | A18B7C3D2 | [
"Al",
"Ga",
"In",
"O"
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0.23333333333333334,
0.06666666666666667,
0.1,
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PO_4472816316566059512157557 | 4472816316566059512157557177594297585087625848917854657138639016319931433507331930079497130908458702015420867170500136762326353234626059440371470156034767 | 2025-04-16T21:29:37 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.0572 | unknown | 0.04672 | null | null | null | null | null | CO_1176526128576635220076791 | 11765261285766352200767917655876736217782876951953427221083073411680009307757402618814274887267513732990992380615534021821693506206722662108621825188128371 | 11861556619808159013742989292940287507826928195602020800949685643508510399389482425336386341192936328007644512383411073976484013145409691114599877031500084 | [
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[
3.82473178,
-0.0602948... | [
true,
true,
true
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0.3333333333333333,
0.6
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[
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... | [
true,
true,
true
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0.0875,
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PO_4448753078726677342845391 | 4448753078726677342845391383458547202584619977749280229703397083017593903324827352916922066935018746230655532924907928330890781606513480356922712763838479 | 2025-04-16T21:28:46 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 0.9183 | unknown | 0.01644 | null | null | null | null | null | CO_6182023607080791588864082 | 618202360708079158886408241858607314250474746741813472498890047100614900690399171077855489285896867679647433939206343039463858960267110081214738500957883 | 8840965436638491202876543189292312884581024752043838993812687971906352444521278035586244619320247357609833898401612392737152346762724563577961442171969076 | [
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[
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[
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2... | [
true,
true,
true
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0.375,
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8,
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... | 80 | 4 | 3 | [
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[
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... | [
true,
true,
true
] | Al18Ga3In11O48 | Al18Ga3In11O48 | A48B18C11D3 | [
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PO_1051456797072386098380667 | 10514567970723860983806676647569877444413840864467907830589319134008730479875797454586909590549925666886244549384873971745108347327219252387250718475218989 | 2025-04-16T18:26:51 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.3776 | unknown | 0.13076 | null | null | null | null | null | CO_1006409005911240938335573 | 10064090059112409383355730033130155212505596246495052496698986134366357982970647674776177369692657152764933298996506741506324013710789832850459491888193140 | 5842844143369639585299555510517640986623650012218586956194155020523092078124669578537536800340224979733046887593952237708224224910205699410637970058892218 | [
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[
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[
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[
11.95205755,
2.39427522,... | [
true,
true,
true
] | Al10GaIn5O24 | Al10GaIn5O24 | A24B10C5D | [
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] | 40 | 4 | 3 | [
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[
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[
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1.7... | [
true,
true,
true
] | Al9Ga6In17O48 | Al9Ga6In17O48 | A48B17C9D6 | [
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PO_1050405741945036846844848 | 10504057419450368468448480896072009928261113906090279828331866880081310561779671532802380823663229699379663520490032048921665177141212969132621832650875286 | 2025-04-16T15:42:56 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.0097 | unknown | 0.14048 | null | null | null | null | null | CO_1085041217472120622628975 | 10850412174721206226289756786059383664354366422174455180111054828750143370572107121655328095012497295863675375901052729396165569803396975587960159709693175 | 8237791616714327602542297712680795668268426825708312951016358223058399860265447919022357558731191253306868234507407710466242449492555310293811170775003002 | [
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[
5.30928679,
3.07958308,
0.00121992
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[
0.4162932,
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14.66885573
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11.2242206,
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[
5.51724636,
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[
1.81143586,
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true,
true,
true
] | Al7Ga2In7O24 | Al7Ga2In7O24 | A24B7C7D2 | [
"Al",
"Ga",
"In",
"O"
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0.175,
0.05,
0.175,
0.6
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8,
8,
8,
8,
8,
8,
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8,
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8,
8,
8
] | 40 | 4 | 3 | [
1,
1,
1
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PO_1014557906685929302055859 | 10145579066859293020558597126910301995003700025947637920306435344087064409254784908715069280476666610542407342747203995319710681966389823440344796638150322 | 2025-04-16T21:43:25 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 3.4819 | unknown | 0.02736 | null | null | null | null | null | CO_3267317040453716035930503 | 3267317040453716035930503743779080591476905767516603391678892117751124636926634367637447304789040756145641641190539794716835873772484763399817816404498765 | 2871571528665005457172583620157684571057031344840510617504124271970937217000688988693913741142982949820083891203308989156559077024012296627947952523200100 | [
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4.28166438,
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[
0.00403023,
0.00546906,
13.43286991
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[
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1.44329001,
6.42206573
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[
2.47676242,
1.44633097,
... | [
true,
true,
true
] | Al5Ga7O18 | Al5Ga7O18 | A18B7C5 | [
"Al",
"Ga",
"O"
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0.16666666666666666,
0.23333333333333334,
0.6
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8,
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8,
8,
8
] | 30 | 3 | 3 | [
1,
1,
1
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PO_1014693901157654189963030 | 10146939011576541899630307647518919217175062600687045149559841411930205388456763596195400026447129881138830550162465918999917129284374095903633170093132146 | 2025-04-16T21:29:37 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.5745 | unknown | 0.06724 | null | null | null | null | null | CO_7871072194805091982507947 | 7871072194805091982507947305610419334025005253055145189383190451543840393704120998913256732415244903632563456995144395013451799142785654887304088129185380 | 8517816186235675284815341637431756534269974233332018826503677892505441167994025024900543314790168012346873600268696107397709642783332625851877787305973890 | [
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[
0.07445137,
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[
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[
3.44604018,
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[
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[
0.96177317,
3.09813521,
1.92009653
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[
6.03313263,
3.06380048,
... | [
true,
true,
true
] | Al5Ga18In9O48 | Al5Ga18In9O48 | A48B18C9D5 | [
"Al",
"Ga",
"In",
"O"
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0.0625,
0.225,
0.1125,
0.6
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8,
8,
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8,
8,
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8,
... | 80 | 4 | 3 | [
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1
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PO_1013262708442596972798512 | 10132627084425969727985128597330902990754398755633636835974106858003430106140547855515970261392382980381411835631823034493831080322872745860438119750871402 | 2025-04-16T21:21:36 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.6208 | unknown | 0.18288 | null | null | null | null | null | CO_2198920211339442825419907 | 219892021133944282541990743210172181618073694627441253940347704544478733129435500272069055781820029393158895698063610940231693847794747417681019312500315 | 514204266700719889200033565007523054591996337603685122835322683114549701377444670760343947661377514195358947913453260515280376947836928905198845029053341 | [
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[
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14.7629188
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8.2917357,
2.08858412,
2.66554319
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[
11.23929365,
2.15144164,
... | [
true,
true,
true
] | Al11In5O24 | Al11In5O24 | A24B11C5 | [
"Al",
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"O"
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0.275,
0.125,
0.6
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49,
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8,
8,
8,
8,
8,
8,
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8,
8,
8,
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8
] | 40 | 3 | 3 | [
1,
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1
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"sg-227"
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5.76695188,
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[
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23.20309153
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0.02050611,
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[
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[
3.36900595,
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5.85933812
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[
3.47249913,
-0.19057002... | [
true,
true,
true
] | Al13Ga10In9O48 | Al13Ga10In9O48 | A48B13C10D9 | [
"Al",
"Ga",
"In",
"O"
] | [
0.1625,
0.125,
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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,
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"} |
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[
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0.29983493,
11.88123774
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[
4.62333194,
0.8422243... | [
true,
true,
true
] | Ga18In6O36 | Ga3InO6 | A6B3C | [
"Ga",
"In",
"O"
] | [
0.3,
0.1,
0.6
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31,
49,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,... | 60 | 3 | 3 | [
1,
1,
1
] | [
"sg-167"
] | null | data/MD/0818/MD_8971123915224790780050818.json | null | null | null | {"input": {"band-gap": {"value": "tight"}}, "hash": "897112391522479078005081825423581428423727767536302739485007213427119013770078192004135667245475481965910082775139972640517966207403207876612736112382606", "id": "MD_8971123915224790780050818"} |
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[
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9.38981484
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7.02413213,
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[
2.36588531,
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[
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[
2.34832979,
7.05968939,
2.36761067
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[
7.02859075,
2.27589138,
... | [
true,
true,
true
] | Al20Ga4In8O48 | Al5GaIn2O12 | A12B5C2D | [
"Al",
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"In",
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0.25,
0.05,
0.1,
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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-206"
] | null | data/MD/0818/MD_8971123915224790780050818.json | null | null | null | {"input": {"band-gap": {"value": "tight"}}, "hash": "897112391522479078005081825423581428423727767536302739485007213427119013770078192004135667245475481965910082775139972640517966207403207876612736112382606", "id": "MD_8971123915224790780050818"} |
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[
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6.01114497
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11.80065195,
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11.75812894,
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[
25.13429286,
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25.13565421,
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[
0.24479051,
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4.79687914
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[
0.24477886,
3.24175... | [
true,
true,
true
] | Ga13In19O48 | Ga13In19O48 | A48B19C13 | [
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0.1625,
0.2375,
0.6
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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_4483938917846529333840879 | 4483938917846529333840879666322512696694671386130708114562335933643355500259103031172945321888294006595274871462779170643253466506893735362055276715138156 | 2025-04-17T18:37:27 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 3.6197 | unknown | 0.0724 | null | null | null | null | null | CO_6339220231220067139757982 | 6339220231220067139757982135927954968635562821568331673105721537532728170144372307559232808470470958637321364444531880311294467345149531101659629367271871 | 11946984701786823944113861592065966780252098104795577537071129267100427485652434110332006648292708430206355112944686938433025111122281890706204728624336149 | [
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[
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[
3.096153,
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[
1.54... | [
true,
true,
true
] | Al27Ga5O48 | Al27Ga5O48 | A48B27C5 | [
"Al",
"Ga",
"O"
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0.3375,
0.0625,
0.6
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8,
8,
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8,
8,
8,
8,
8,
... | 80 | 3 | 3 | [
1,
1,
1
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"sg-194"
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PO_4491690894193925885973339 | 4491690894193925885973339507176632170255022887243306961592694503023562177988596559281129368960622859119573231768278404294287947040691971295070219874346419 | 2025-04-17T18:37:27 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.4273 | unknown | 0.08508 | null | null | null | null | null | CO_1143510433930493240819944 | 11435104339304932408199449569698169242809000702507057776718339803453434278196102781884293313693561429709960889927185339839929279108017502809618252187274823 | 5751732589916725569910463355495582130108237059960429531948964423312350342623329393695910506707284977304077545931832224040554616682257902757437033006339508 | [
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[
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[
7.41403099,
2.56883517,
... | [
true,
true,
true
] | Al10Ga2In20O48 | Al5GaIn10O24 | A24B10C5D | [
"Al",
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"O"
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0.125,
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0.6
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8,
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8,
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8,
8,
... | 80 | 4 | 3 | [
1,
1,
1
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"sg-206"
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PO_4492811242214049645362929 | 449281124221404964536292995934371448927486070574453464924193040392899146558897083447648180503374015699706674348287563301061397460116294309905345139543311 | 2025-04-16T18:55:55 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.9526 | unknown | 0.04672 | null | null | null | null | null | CO_4309484909770568247264144 | 4309484909770568247264144258919609121429479317487226998778989730352516863130879529249785068892492898124120832308169790881684094671105946387718284618207720 | 7756502841698244917008792420558915694300002606015757997826892164383485089331256409852422376764962376172905502715173788614621090997377335797010755161954137 | [
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[
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[
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[
1.740633,
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2.335768
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[
-0.7667... | [
true,
true,
true
] | Al2Ga14O24 | AlGa7O12 | A12B7C | [
"Al",
"Ga",
"O"
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0.05,
0.35,
0.6
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8,
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8,
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8,
8
] | 40 | 3 | 3 | [
1,
1,
1
] | [
"sg-227"
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PO_4496294358984941512072808 | 4496294358984941512072808780233598387007211307205431970893948030103930580350566111738207645554417586285215272464408027599225149611291699567462918342480413 | 2025-04-16T17:56:50 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.5854 | unknown | 0.05876 | null | null | null | null | null | CO_6684174893961353406754145 | 6684174893961353406754145333622174398189533845368251468074228156732809571819341056171012137270648792416615055801981426907851623404065239453228140893256878 | 9217535347824762864210029134784079599630181695744584355723541147842479680349864449813163044345280964354445134231747894991026602981347291481509243215014951 | [
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[
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[
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11.6002246,
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[
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[
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0.04320381,
4.72392365
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[
0.25171443,
3.16596234,
... | [
true,
true,
true
] | Al9Ga9In14O48 | Al9Ga9In14O48 | A48B14C9D9 | [
"Al",
"Ga",
"In",
"O"
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0.1125,
0.1125,
0.175,
0.6
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8,
8,
8,
8,
8,
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8,
8,
8,
8,
8,
8,
... | 80 | 4 | 3 | [
1,
1,
1
] | [
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PO_4500492822024858825511552 | 4500492822024858825511552880505804588481860583289409511492160017026400573912843110420425809138231653555008301996296587986115860723733055335518356633981465 | 2025-04-16T21:30:02 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.2575 | unknown | 0.05008 | null | null | null | null | null | CO_7340776550361083291512063 | 7340776550361083291512063766324659526386633446724092212084842833434583595984655064496401176484573626009312764056780125820982118646509436892290073589158308 | 6325141177178050519752068221890481778299521976310328181220280536445095776908209080711675752907362864671350603140110441700710027137097356428438949716259658 | [
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[
0.01104647,
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[
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[
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[
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[
2.41618634,
7.31447093,
2.49109961
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[
7.46363722,
2.41683477,
... | [
true,
true,
true
] | Ga15In17O48 | Ga15In17O48 | A48B17C15 | [
"Ga",
"In",
"O"
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0.1875,
0.2125,
0.6
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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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[
0.21857889,
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4.74357522
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[
0.21859446,
3.220552... | [
true,
true,
true
] | Ga15In17O48 | Ga15In17O48 | A48B17C15 | [
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0.2125,
0.6
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8,
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8,
8,
8,
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8,
8,
8,
8,
8,
... | 80 | 3 | 3 | [
1,
1,
1
] | [
"sg-12"
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[
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[
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[
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[
1.15804033,
4.5404976,
5.76166549
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[
0.17449641,
1.83940816,... | [
true,
true,
true
] | Al4Ga7In5O24 | Al4Ga7In5O24 | A24B7C5D4 | [
"Al",
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"O"
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0.1,
0.175,
0.125,
0.6
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8,
8,
8,
8,
8,
8,
8,
8,
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8,
8,
8,
8,
8
] | 40 | 4 | 3 | [
1,
1,
1
] | [
"sg-227"
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[
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[
-0.05917597,
3.022326... | [
true,
true,
true
] | Al16Ga16O48 | AlGaO3 | A3BC | [
"Al",
"Ga",
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] | [
0.2,
0.2,
0.6
] | [
31,
13,
13,
13,
31,
13,
13,
31,
31,
31,
13,
31,
31,
13,
13,
13,
31,
13,
31,
31,
13,
13,
31,
31,
31,
31,
13,
13,
13,
13,
31,
31,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
... | 80 | 3 | 3 | [
1,
1,
1
] | [
"sg-12"
] | null | data/MD/0818/MD_8971123915224790780050818.json | null | null | null | {"input": {"band-gap": {"value": "tight"}}, "hash": "897112391522479078005081825423581428423727767536302739485007213427119013770078192004135667245475481965910082775139972640517966207403207876612736112382606", "id": "MD_8971123915224790780050818"} |
PO_1052647114460877517536006 | 10526471144608775175360067615823983185928718750421926820868238829900572858786529817526548697938064739393276972559230581837831272861112612608579307710130762 | 2025-04-16T18:25:21 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.6209 | unknown | 0.06908 | null | null | null | null | null | CO_4116628321207591908502885 | 4116628321207591908502885716498347580195101180811493454095883746230424688553286152990634556620635834787693709359073185016534617420140491754229003324484637 | 11173419189169944350783883597448655223568966508621311390887227784641021597689618513540401209740820835016228530508426714554809462773761115074033488604461780 | [
[
25.6718009,
0.02879995,
0.10724964
],
[
0.0149372,
6.383349,
-0.01512828
],
[
-1.3538028,
-0.01837095,
5.84287241
]
] | [
[
11.35261473,
0.01196793,
1.22749039
],
[
11.32640057,
3.2241167,
1.320515
],
[
24.2648339,
-0.00780761,
1.26839708
],
[
24.25636134,
3.18242582,
1.26792834
],
[
0.1388847,
-0.05574586,
4.67383355
],
[
0.16242524,
3.13462325,
... | [
true,
true,
true
] | Al8Ga12In12O48 | Al2Ga3In3O12 | A12B3C3D2 | [
"Al",
"Ga",
"In",
"O"
] | [
0.1,
0.15,
0.15,
0.6
] | [
13,
49,
31,
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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,
... | 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_1052638114379297123663326 | 10526381143792971236633262588480118825816956352668658473225939653411738762385545332818089977111137252661867180617859591985469886088297270348711147070115555 | 2025-04-16T16:41:55 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.7613 | unknown | 0.03352 | null | null | null | null | null | CO_4743428152360677597356940 | 4743428152360677597356940110620823242091698276332811474402406867910789458259834185463339922887223648604554456453708549321010849605931844504604988495747296 | 9791384143354819945064807414156549818019054233222447143672231726744650249829542234680614700295995063223249292182494061716873824615378341315946358925317877 | [
[
25.14705069,
0.01514252,
0.30126392
],
[
-0.00260502,
6.24810179,
-0.01449378
],
[
-1.45369512,
0.011788,
5.75068403
]
] | [
[
11.2808054,
-0.01674584,
1.37123748
],
[
11.24134729,
3.1116699,
1.38301934
],
[
23.61202772,
0.02422286,
1.39783421
],
[
23.6143434,
3.09527662,
1.39316325
],
[
-0.1142857,
0.02477883,
4.51624344
],
[
-0.14253474,
3.07662051,... | [
true,
true,
true
] | Al2Ga26In4O48 | AlGa13In2O24 | A24B13C2D | [
"Al",
"Ga",
"In",
"O"
] | [
0.025,
0.325,
0.05,
0.6
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31,
49,
31,
31,
13,
31,
31,
31,
13,
31,
31,
31,
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31,
31,
31,
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8,
8,
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8,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
... | 80 | 4 | 3 | [
1,
1,
1
] | [
"sg-12"
] | null | data/MD/0818/MD_8971123915224790780050818.json | null | null | null | {"input": {"band-gap": {"value": "tight"}}, "hash": "897112391522479078005081825423581428423727767536302739485007213427119013770078192004135667245475481965910082775139972640517966207403207876612736112382606", "id": "MD_8971123915224790780050818"} |
PO_1015736515760340505289248 | 10157365157603405052892484828921705743637333954396763868102730661429905709663241603491320352385714230695009852151546340714127853902672765583400472341084559 | 2025-04-16T16:23:19 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.0588 | unknown | 0.15104 | null | null | null | null | null | CO_4290948641330150171633581 | 4290948641330150171633581512864561200260606059465464748065120433512114488070331934980819479182981858028517083828497490480770638555422206371173699092370120 | 247736873412458412147121232918626303581828688819811405713106177955682188789027184144784038135732073734779053251052368300631882983351639169795031209534446 | [
[
10.18566319,
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-0.27725613
],
[
5.16276946,
2.97073597,
-0.12929512
],
[
-0.66085764,
0.06546985,
14.82106369
]
] | [
[
-0.12191225,
0.03149798,
13.73565552
],
[
-1.19833694,
0.0261714,
0.9717402
],
[
3.29785456,
-0.04581339,
12.24655128
],
[
6.61855119,
-0.09466662,
3.10183527
],
[
6.47239038,
-0.05036192,
12.55517184
],
[
2.55457222,
-0.05134... | [
true,
true,
true
] | Al6Ga5In5O24 | Al6Ga5In5O24 | A24B6C5D5 | [
"Al",
"Ga",
"In",
"O"
] | [
0.15,
0.125,
0.125,
0.6
] | [
31,
13,
49,
13,
49,
13,
31,
13,
31,
49,
31,
13,
49,
13,
31,
49,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 40 | 4 | 3 | [
1,
1,
1
] | [
"sg-227"
] | null | data/MD/0818/MD_8971123915224790780050818.json | null | null | null | {"input": {"band-gap": {"value": "tight"}}, "hash": "897112391522479078005081825423581428423727767536302739485007213427119013770078192004135667245475481965910082775139972640517966207403207876612736112382606", "id": "MD_8971123915224790780050818"} |
PO_1015919055164978802137319 | 10159190551649788021373193988870883207852346261395071667657836271515740124860981833161388104153823549635314981553715156756384580570164242993385544011689924 | 2025-04-16T15:42:59 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 2.8037 | unknown | 0.05856 | null | null | null | null | null | CO_4461511313981291488181026 | 4461511313981291488181026444884895940006891201512030757535283902371636539524217750095401142380068135973343851064877220881879312635378168510592135829975667 | 228813205749255584871055228933413128620796251113851625185037036493589649645018998066572390928975141931906913007735234010763968688452125693999216859095340 | [
[
10.09948127,
-0.0734268,
-0.0360175
],
[
0.02277183,
8.69823944,
-0.04893056
],
[
0.02371961,
-0.03356924,
9.3182149
]
] | [
[
1.58500354,
7.39722812,
6.31902752
],
[
6.66411057,
7.32094806,
6.38507513
],
[
3.4779748,
1.3025676,
1.82049636
],
[
8.34787939,
1.319889,
1.83642921
],
[
0.92332408,
3.05235136,
1.77469359
],
[
5.93364753,
2.95681156,
1.... | [
true,
true,
true
] | Al18Ga10In4O48 | Al9Ga5In2O24 | A24B9C5D2 | [
"Al",
"Ga",
"In",
"O"
] | [
0.225,
0.125,
0.05,
0.6
] | [
49,
31,
13,
13,
31,
13,
31,
31,
13,
13,
13,
31,
31,
13,
31,
49,
49,
13,
13,
13,
31,
13,
13,
31,
31,
13,
13,
13,
49,
13,
13,
13,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
... | 80 | 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_1052875606439474347935215 | 10528756064394743479352154425444748652814343320628269796740875252856109323418805297110070839038091589381075288037678510279288949559974354569157397963152714 | 2025-04-16T16:09:44 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 3.006 | unknown | 0.07548 | null | null | null | null | null | CO_5682294902473442177276637 | 568229490247344217727663785628227279495336647270622137286377091668238527897112110824797829832321229982795109402879247003235958110868928434259610946418072 | 2803453669884585426247733344157423772433897766566830207903899872964330462865219029486657066138532249483567185311795724858159261532040045508178985950917511 | [
[
5.02958073,
0.01702259,
0.00646843
],
[
-2.52928806,
4.346876,
-0.01200268
],
[
-0.01749109,
0.0274968,
13.58354108
]
] | [
[
-0.00246208,
0.00389598,
1.90090034
],
[
-0.01130907,
0.01806865,
8.88529849
],
[
-0.01521418,
0.02341517,
11.62807171
],
[
-0.00624487,
0.01014339,
4.98459395
],
[
2.50150315,
1.47399944,
6.67720382
],
[
2.49273623,
1.4868032... | [
true,
true,
true
] | Al6Ga4In2O18 | Al3Ga2InO9 | A9B3C2D | [
"Al",
"Ga",
"In",
"O"
] | [
0.2,
0.13333333333333333,
0.06666666666666667,
0.6
] | [
13,
13,
31,
49,
31,
31,
49,
13,
13,
31,
13,
13,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 30 | 4 | 3 | [
1,
1,
1
] | [
"sg-167"
] | null | data/MD/0818/MD_8971123915224790780050818.json | null | null | null | {"input": {"band-gap": {"value": "tight"}}, "hash": "897112391522479078005081825423581428423727767536302739485007213427119013770078192004135667245475481965910082775139972640517966207403207876612736112382606", "id": "MD_8971123915224790780050818"} |
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