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_5282796354085300177983293 | 5282796354085300177983293295329925760878286825340776290565405036050013880121082921713530879065142713930999059378582458349002701881727315005343380738578267 | 2025-04-16T21:12:41 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.4735 | unknown | 0.05348 | null | null | null | null | null | CO_1218197024654332908127353 | 12181970246543329081273533332137889110178099026637536674000384225530889693905332695921289035875885632525937715848591189979962200377182958779630154272699075 | 8520270890643322762741913211419427856383946600003505153187932195913482013747966714647522306461287325195379095867539286131606971889278329435365982205027098 | [
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[
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true,
true,
true
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"Ga",
"In",
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... | 80 | 3 | 3 | [
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PO_1036004159359910404090847 | 10360041593599104040908470242378135420965406464219629981285532886623952264002607313100915531530819258673965929814834541003585601326575963719714499782186729 | 2025-04-16T15:42:27 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 0.0057 | unknown | 0.1266 | null | null | null | null | null | CO_1112866991818539392986232 | 11128669918185393929862327755988464019496503976115537807468364072991717857357301613875031482995268108249842554026656368555450166442500744931927476021063335 | 9381977616169988882183352373139064689959691623425772921939272390212138948665560393225239664415196971107810760504703758376900914501048747131089974344541414 | [
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[
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true,
true,
true
] | GaIn15O24 | GaIn15O24 | A24B15C | [
"Ga",
"In",
"O"
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0.375,
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] | 40 | 3 | 3 | [
1,
1,
1
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"sg-227"
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PO_1035946144273144022838830 | 10359461442731440228388307811829401860099761021394842451985226759404782199404303822830280248335983827609971729295709608511556672092542858050769293069614212 | 2025-04-16T16:54:00 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.6084 | unknown | 0.10792 | null | null | null | null | null | CO_5433158804176827619256864 | 5433158804176827619256864191495507423840662238528387887413203908325925499019847456834578976954190061612145875915815824133017288741587691311525442762882627 | 8230121723248110810709368386815543096411285402340551334759224019953792413483130202393126345653615703691497682670391004608013340316936181293931918815823535 | [
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[
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[
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7.19795351,
2.31016275
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[
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2.54643967,
... | [
true,
true,
true
] | Al15In17O48 | Al15In17O48 | A48B17C15 | [
"Al",
"In",
"O"
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0.1875,
0.2125,
0.6
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... | 80 | 3 | 3 | [
1,
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] | [
"sg-206"
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[
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[
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... | [
true,
true,
true
] | AlIn31O48 | AlIn31O48 | A48B31C | [
"Al",
"In",
"O"
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0.0125,
0.3875,
0.6
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... | 80 | 3 | 3 | [
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"sg-206"
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PO_1036121267148267188689536 | 10361212671482671886895364312493576522765883644529131817681110012859214943514966412932416556377114191141607315750323225103599645898472215608861245957513198 | 2025-04-16T20:38:41 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 4.4967 | unknown | 0.01672 | null | null | null | null | null | CO_4065300518590458602928799 | 4065300518590458602928799742746779651306736774557309737559926375542285314315969210040310250646848890908541708844999252742818263990200868256548041683379573 | 819088054153576114602323117965453642547018612018793160931909791452069529989417971399674283575233701593596547081777817581240287182001505608546183900097265 | [
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[
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[
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... | [
true,
true,
true
] | Al9Ga3O18 | Al3GaO6 | A6B3C | [
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] | 30 | 3 | 3 | [
1,
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1
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"sg-167"
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PO_5317495849455634796701627 | 5317495849455634796701627163382990483541054254546004564257419885889369531840647424816385940725536351314705307868148157558802525962696037043638862332159270 | 2025-04-16T17:59:53 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.7309 | unknown | 0.1232 | null | null | null | null | null | CO_5221738477371765537779723 | 5221738477371765537779723613329925058594767470157271412196164953708654378425809474341229502192979667289420612532474274457243929200252310015975008209039755 | 697955452790366612566120351671009431879933945402699146564967312624350006314372388648284048868128814169816663007453721248379556589654044251327611521661256 | [
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[
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[
1.41100516,
-0.36320571... | [
true,
true,
true
] | Al3Ga10In3O24 | Al3Ga10In3O24 | A24B10C3D3 | [
"Al",
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0.25,
0.075,
0.6
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[
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[
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true,
true,
true
] | Al6Ga10O24 | Al3Ga5O12 | A12B5C3 | [
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0.6
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8,
8,
8,
8,
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] | 40 | 3 | 3 | [
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[
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... | [
true,
true,
true
] | Al2Ga14In16O48 | AlGa7In8O24 | A24B8C7D | [
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8,
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... | 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_1035508987622929025310045 | 1035508987622929025310045933763701847418164244350549191395931386077378130329953583079742586157750314191573976067143948891633403439431816973545160526088897 | 2025-04-16T20:35:24 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.5473 | unknown | 0.11016 | null | null | null | null | null | CO_8471759856586371337230763 | 8471759856586371337230763858962974814547119725705061286982275611540573870615237395861782025080046173979358544952289535901223714620874405153683729093748763 | 7235477997897852379918092849253402474880151203278567886510785502399442198643295419906718157450977918825694059853252620094440474158398132873303718796980393 | [
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[
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[
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... | [
true,
true,
true
] | Al11Ga6In15O48 | Al11Ga6In15O48 | A48B15C11D6 | [
"Al",
"Ga",
"In",
"O"
] | [
0.1375,
0.075,
0.1875,
0.6
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8,
... | 80 | 4 | 3 | [
1,
1,
1
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"sg-33"
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PO_5305054940284720345209599 | 5305054940284720345209599644402998239338206439962702061396971349690350029243554715536669002794412642014216426158736462693688050947742618979188991930215907 | 2025-04-16T17:08:25 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.7931 | unknown | 0.05516 | null | null | null | null | null | CO_2660191509048360008808042 | 2660191509048360008808042062546349583929809358699313699391240170024941145652266371880675857046518293469678756241447392107910986606528747111132864799615745 | 6149124016165221557012858762921556032004435975346849539696633964916476430828158853312888868288349847492923690468421830892923345004042941634166282484745356 | [
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[
0.05620039,
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9.57845897
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[
6.07870439,
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... | [
true,
true,
true
] | Al4Ga21In7O48 | Al4Ga21In7O48 | A48B21C7D4 | [
"Al",
"Ga",
"In",
"O"
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0.05,
0.2625,
0.0875,
0.6
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8,
8,
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... | 80 | 4 | 3 | [
1,
1,
1
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"sg-33"
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PO_5323769902759217367380799 | 5323769902759217367380799046310866378453798688978570027937508285269317823248294287078300961556964225764070297146070304726344590743229694341178544563056190 | 2025-04-16T17:06:25 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 2.0946 | unknown | 0.1062 | null | null | null | null | null | CO_3294337662583337117623448 | 3294337662583337117623448413689040503227063550667935804032949866745322520899102358983349476585856880357755507845188476982013311656594864863366470004831666 | 12590615378856366486478145332754960495645403295004846889485925311269423332540756957449267393225075785813080427825210130877021078728165573091987494959595254 | [
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[
0.03928317,
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[
2.42994431,
7.15624801,
2.53483973
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[
7.26187681,
2.37842205,
... | [
true,
true,
true
] | Al17In15O48 | Al17In15O48 | A48B17C15 | [
"Al",
"In",
"O"
] | [
0.2125,
0.1875,
0.6
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8,
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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_5321215749452577932258442 | 5321215749452577932258442023357940558328326678250149429527115063988755363467111865283455897377191904471610183288241847547751476820140945491269102339231177 | 2025-04-16T21:14:40 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.1775 | unknown | 0.13312 | null | null | null | null | null | CO_8954215744514883704851505 | 8954215744514883704851505418288689171929338742890634883113210066739238069482296675578512234069361358341383767789658233142502525831625953468094591993641767 | 327935301205292618122004937309079718554104329166944558420936996713577228169179470015883577257881960065143280209456425797678119867808250574353434302517874 | [
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[
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6.6427257
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[
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[
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[
-0.57523719,
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5.58585815
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[
-0.14903095,
3.03559... | [
true,
true,
true
] | Al10In22O48 | Al5In11O24 | A24B11C5 | [
"Al",
"In",
"O"
] | [
0.125,
0.275,
0.6
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8,
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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_5319838311124347263539273 | 5319838311124347263539273102553442053403482341209361150882561831748645925084357396694528772138883562261959424387753776319456804481952674803078521101310139 | 2025-04-16T16:33:20 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.9577 | unknown | 0.08824 | null | null | null | null | null | CO_1065435674056718479698004 | 10654356740567184796980048238848229355233918383309787483525661031788087100701276319671015431292779530347000101520848971897019125198008033691552394684518804 | 6283808313131789255152399769509196564095345091402702700046676776332030169803750282308589397436847524654753846525594108308500878268124255190353031235422066 | [
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[
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1.9745104,
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[
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[
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[
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[
1.04985582,
3.19549379,
1.51311062
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[
6.13593872,
3.02930489,
1.... | [
true,
true,
true
] | Al15Ga7In10O48 | Al15Ga7In10O48 | A48B15C10D7 | [
"Al",
"Ga",
"In",
"O"
] | [
0.1875,
0.0875,
0.125,
0.6
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8,
8,
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... | 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_5325977573932809207711410 | 5325977573932809207711410996895757692847418462446462691925310951751663055640787793715044647009970883180433546346341793714678900280512377663175636848723507 | 2025-04-16T21:51:00 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.0045 | unknown | 0.11396 | null | null | null | null | null | CO_1303093564682631640418288 | 13030935646826316404182881257550439851108939606750568322629724038976698016623617474000299470738981342958123600796940141828260238142662970000278888171630044 | 10834138189437887734364106044421639596198964861216595343728209122952400238032296549248307153791285593600304302456822335435967884532667832936682428911120433 | [
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[
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[
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[
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[
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[
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6.00218515
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[
1.14649317,
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... | [
true,
true,
true
] | Al2Ga2In12O24 | AlGaIn6O12 | A12B6CD | [
"Al",
"Ga",
"In",
"O"
] | [
0.05,
0.05,
0.3,
0.6
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 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_5302930565955767976239534 | 5302930565955767976239534413848141360685578802077793172146165430895658904714515984674495244160401327606580432097759554997206894981576732042856633587424164 | 2025-04-16T21:09:01 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 3.2113 | unknown | 0.00308 | null | null | null | null | null | CO_4140409992172947641879335 | 4140409992172947641879335165792927230032168805865006391950438713855697479379477939681651893039954117630691725638862852978182523175946569717449936347183055 | 3998853579841742342898228742844398276544850082010921880762766363655452409501151482093591017080226217467879377764262444970411673802094068017933619669094203 | [
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[
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[
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[
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[
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[
9.24684542,
1.49671199,
3.75757552
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[
1.5602574,
1.4981952,
1... | [
true,
true,
true
] | Al5Ga3O12 | Al5Ga3O12 | A12B5C3 | [
"Al",
"Ga",
"O"
] | [
0.25,
0.15,
0.6
] | [
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31,
13,
31,
13,
13,
13,
13,
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"} |
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[
0.0290874,
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] | [
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1.4963285,
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[
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[
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[
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[
0.86818153,
2.93465375,
1.77295765
],
[
5.78331137,
2.91788077,
... | [
true,
true,
true
] | Al30In2O48 | Al15InO24 | A24B15C | [
"Al",
"In",
"O"
] | [
0.375,
0.025,
0.6
] | [
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13,
13,
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49,
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8,
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8,
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8,
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8,
8,
8,
8,
... | 80 | 3 | 3 | [
1,
1,
1
] | [
"sg-33"
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PO_1093517708798291880250756 | 10935177087982918802507564935912880963278553872560937821797704053307683072760054881409119502851868152455291917668421222658980395135553065726411635373984247 | 2025-04-16T20:19:21 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 3.2351 | unknown | 0.0032 | null | null | null | null | null | CO_3601930468268086311830844 | 3601930468268086311830844648593375394304925497264604400279181953369900213236205999940819237881948200102444601233940760426340672819946308053281942874643231 | 2911646715903536120785622811261040180042802206956189149720202546461224856756339313798933835967885196736696675746892662137013454361939220788163847544970845 | [
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[
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[
11.... | [
true,
true,
true
] | Al22Ga10O48 | Al11Ga5O24 | A24B11C5 | [
"Al",
"Ga",
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0.275,
0.125,
0.6
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31,
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8,
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8,
8,
8,
8,
8,
... | 80 | 3 | 3 | [
1,
1,
1
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"sg-12"
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PO_1093544649542189103926637 | 10935446495421891039266372541832654671780630447312456299426768388076002855536688414996462820928632205157292155963673700146251499639380273291257733628337857 | 2025-04-16T20:48:50 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 4.0305 | unknown | 0.01616 | null | null | null | null | null | CO_1060587913130556843273527 | 10605879131305568432735273933844829704352649996353041511702205470471805547896461447962875129351120181223941571732644503808187184076585257716433371259737121 | 12438486259604265981368078228677744586455518262649455712732129086794572160506720501497837159061404844193780751461000512858459749354442088877927452840774020 | [
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[
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[
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[
1.527001,
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2.557263
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[
3.98123,
... | [
true,
true,
true
] | Al13Ga3O24 | Al13Ga3O24 | A24B13C3 | [
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"Ga",
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0.325,
0.075,
0.6
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8,
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] | 40 | 3 | 3 | [
1,
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PO_1093505257950982167637909 | 10935052579509821676379091826399148543872141487926406405413029173844497543107282249972790907585276481700862441347986751306590803293029976952110574109558788 | 2025-04-16T18:54:39 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 2.6879 | unknown | 0.06052 | null | null | null | null | null | CO_1285084319662722133434294 | 12850843196627221334342949475388756000237327443642278249478862325282058080524955956883580498830874538160687131006879829476915214777590466009031159703275785 | 7845046297623505629840281530081988575396763652220627482795323313634873724506472742609038957573707508741297035757460445674650151201540754171220991293859422 | [
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[
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[
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[
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2.41847792
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[
6.99485345,
2.35338683,
... | [
true,
true,
true
] | Al12Ga17In3O48 | Al12Ga17In3O48 | A48B17C12D3 | [
"Al",
"Ga",
"In",
"O"
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0.15,
0.2125,
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... | 80 | 4 | 3 | [
1,
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3.01104125,
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[
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true,
true,
true
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... | 80 | 4 | 3 | [
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1,
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2.50892199,
1.45868612,
6.45209195
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[
2.51183524,
1.4615097,
... | [
true,
true,
true
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 30 | 4 | 3 | [
1,
1,
1
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"sg-167"
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1... | [
true,
true,
true
] | Al15Ga6In11O48 | Al15Ga6In11O48 | A48B15C11D6 | [
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0.075,
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8,
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... | 80 | 4 | 3 | [
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1,
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] | [
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[
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[
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true,
true,
true
] | Al14Ga6In12O48 | Al7Ga3In6O24 | A24B7C6D3 | [
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8,
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8,
8,
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1,
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1.51621995,... | [
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true,
true
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"Al",
"Ga",
"In",
"O"
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0.23333333333333334,
0.03333333333333333,
0.13333333333333333,
0.6
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8,
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8,
8,
8
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1,
1,
1
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"sg-167"
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[
3.181923,
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[
1.61... | [
true,
true,
true
] | Al8Ga24O48 | AlGa3O6 | A6B3C | [
"Al",
"Ga",
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0.1,
0.3,
0.6
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1,
1
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[
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5.473152
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[
1.77396032,
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... | [
true,
true,
true
] | Al9Ga4In3O24 | Al9Ga4In3O24 | A24B9C4D3 | [
"Al",
"Ga",
"In",
"O"
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0.225,
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] | 40 | 4 | 3 | [
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[
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... | [
true,
true,
true
] | Al8Ga3In5O24 | Al8Ga3In5O24 | A24B8C5D3 | [
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0.2,
0.075,
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] | 40 | 4 | 3 | [
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[
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[
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... | [
true,
true,
true
] | Al16Ga4In12O48 | Al4GaIn3O12 | A12B4C3D | [
"Al",
"Ga",
"In",
"O"
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0.2,
0.05,
0.15,
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... | 80 | 4 | 3 | [
1,
1,
1
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[
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[
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1.... | [
true,
true,
true
] | Al24Ga2In6O48 | Al12GaIn3O24 | A24B12C3D | [
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"In",
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0.3,
0.025,
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1,
1,
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[
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[
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3.0575074,... | [
true,
true,
true
] | Al11Ga13In8O48 | Al11Ga13In8O48 | A48B13C11D8 | [
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1,
1,
1
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[
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true,
true,
true
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] | 40 | 4 | 3 | [
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[
4.40759774,
1.31716806,
2.53353664
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[
5.06384206,
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... | [
true,
true,
true
] | Al10GaIn5O24 | Al10GaIn5O24 | A24B10C5D | [
"Al",
"Ga",
"In",
"O"
] | [
0.25,
0.025,
0.125,
0.6
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49,
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8,
8,
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] | 40 | 4 | 3 | [
1,
1,
1
] | [
"sg-227"
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PO_5330345579118845006015609 | 5330345579118845006015609247295853842399019202102704768056547788940341523453676410868169386971116160893943479452842054810061623270349651921113016951975256 | 2025-04-16T16:55:35 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 0.4745 | unknown | 0.11384 | null | null | null | null | null | CO_1266289196443107387475579 | 12662891964431073874755794159792818225241218105630244162085573243985158168582676268914665376509906108264829371270326377208787619194964640076001843716673207 | 2286906181480442316885327814537770447412186852122804943813434850069877950078164073525761999705517578145068354864558594805689494093310861953756735627020259 | [
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[
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[
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[
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2.34154631,
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[
11.31977626,
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... | [
true,
true,
true
] | Al4Ga7In5O24 | Al4Ga7In5O24 | A24B7C5D4 | [
"Al",
"Ga",
"In",
"O"
] | [
0.1,
0.175,
0.125,
0.6
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] | 40 | 4 | 3 | [
1,
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"sg-227"
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PO_5337890226323376636321662 | 5337890226323376636321662461205303352773398021034773679501347121653243210478490667315694744558191483538011490602993424730644081789970493697056321847209443 | 2025-04-16T21:37:22 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 4.53 | unknown | 0.03464 | null | null | null | null | null | CO_2757167977935361667203769 | 2757167977935361667203769602854692140733829633235061187645564887363781691264849781833807471403472700230875348137921766145105739872008561820248337161340557 | 1994208789247500682005379175178731261868976020168890304959176830988016559051801133254564942456418773414289594999200492079596266695507484662132302094083157 | [
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[
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[
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[
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2.28238665,
6.76100634,
2.24312503
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[
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... | [
true,
true,
true
] | Al28Ga4O48 | Al7GaO12 | A12B7C | [
"Al",
"Ga",
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0.05,
0.6
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1,
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1
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"sg-206"
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PO_5355861763839393305422580 | 5355861763839393305422580970563587602057355337492143128433808647639528899515623692801308392021378175624483918209213155676772332872725396064031196540195345 | 2025-04-16T18:13:31 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.4629 | unknown | 0.10492 | null | null | null | null | null | CO_9541435709953947565103309 | 9541435709953947565103309223073100486146917659465808847015500995359965785425182418759075541539244967702997323125933101113388549506094359020668040471687488 | 8268304828344266971661162463485707747496538776105192315041832984962146254735556901874531090511979825371553723649648779257508170422803723624520120808461930 | [
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[
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[
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[
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[
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3.191... | [
true,
true,
true
] | Al12Ga5In15O48 | Al12Ga5In15O48 | A48B15C12D5 | [
"Al",
"Ga",
"In",
"O"
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0.15,
0.0625,
0.1875,
0.6
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... | 80 | 4 | 3 | [
1,
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1
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"sg-12"
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[
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[
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1.42433771,
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[
2.4735438,
1.42203252... | [
true,
true,
true
] | Al7Ga5O18 | Al7Ga5O18 | A18B7C5 | [
"Al",
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0.23333333333333334,
0.16666666666666666,
0.6
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] | 30 | 3 | 3 | [
1,
1,
1
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[
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[
3.38886733,
0.38470614... | [
true,
true,
true
] | Al10Ga3In19O48 | Al10Ga3In19O48 | A48B19C10D3 | [
"Al",
"Ga",
"In",
"O"
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0.125,
0.0375,
0.2375,
0.6
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8,
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8,
8,
8,
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... | 80 | 4 | 3 | [
1,
1,
1
] | [
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[
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[
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2... | [
true,
true,
true
] | Al13Ga3In16O48 | Al13Ga3In16O48 | A48B16C13D3 | [
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"O"
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0.0375,
0.2,
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8,
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8,
8,
8,
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... | 80 | 4 | 3 | [
1,
1,
1
] | [
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[
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[
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... | [
true,
true,
true
] | Al6Ga4In22O48 | Al3Ga2In11O24 | A24B11C3D2 | [
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... | 80 | 4 | 3 | [
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7.16848305,
2.37990205,
7.10796169
],
[
2.27907486,
6.97777281,
7.01731786
],
[
7.02572686,
7.0494988,
2.3701497
],
[
7.08298591,
7.03821408,
7.0508322
],
[
2.43622182,
7.11437095,
2.38189565
],
[
7.03833527,
2.26144151,
2... | [
true,
true,
true
] | Al15Ga9In8O48 | Al15Ga9In8O48 | A48B15C9D8 | [
"Al",
"Ga",
"In",
"O"
] | [
0.1875,
0.1125,
0.1,
0.6
] | [
13,
31,
13,
31,
13,
49,
49,
13,
31,
13,
13,
31,
13,
31,
31,
49,
13,
31,
13,
13,
13,
49,
13,
31,
49,
13,
31,
49,
49,
13,
49,
13,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
... | 80 | 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_1095421308128417731037621 | 10954213081284177310376211624493895179877888775918377050656870732599053688973936844308539692317648720807708299720510574607168932647112062725043329297571924 | 2025-04-16T18:32:29 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 0.9724 | unknown | 0.0284 | null | null | null | null | null | CO_4367553310155475482103437 | 436755331015547548210343716922587227530557840964241255504784829003327549136354040757558905177046188504066218157337446161844730818927322004020067430191298 | 9961826593929568210886659635103625577562828906783669283174072824388209101278161101896084748603897362519488308812033145001118568380175422370628445734579841 | [
[
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[
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10.13243809,
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],
[
0.0671893,
0.00859021,
10.15642235
]
] | [
[
7.71161538,
2.48693633,
7.59005339
],
[
2.56794222,
7.55178069,
7.65847827
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[
7.63572211,
7.636305,
2.58408452
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[
7.68809529,
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7.58612771
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[
2.57838939,
7.55325524,
2.49903205
],
[
7.63392837,
2.48839711,
... | [
true,
true,
true
] | Al2Ga2In28O48 | AlGaIn14O24 | A24B14CD | [
"Al",
"Ga",
"In",
"O"
] | [
0.025,
0.025,
0.35,
0.6
] | [
49,
49,
49,
31,
49,
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31,
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49,
49,
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8,
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8,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
... | 80 | 4 | 3 | [
1,
1,
1
] | [
"sg-206"
] | null | data/MD/0818/MD_8971123915224790780050818.json | null | null | null | {"input": {"band-gap": {"value": "tight"}}, "hash": "897112391522479078005081825423581428423727767536302739485007213427119013770078192004135667245475481965910082775139972640517966207403207876612736112382606", "id": "MD_8971123915224790780050818"} |
PO_1038907997475853325410752 | 1038907997475853325410752632404665267080485913686865297093594056843771051266564885326462487177859211256037269102495689876793017420449654071918570455332725 | 2025-04-16T16:59:46 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 4.1953 | unknown | 0.03792 | null | null | null | null | null | CO_1092229403843073983271884 | 10922294038430739832718846162889769245434748298305725452621659231705333628022967619815301554509781934893665166061786599862416521544644064411126120851625260 | 10097965612357104098301459471175646679991252609743210323987382168037268348216593029460904464665561150941256339532163931259468173948128162064651366645032925 | [
[
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[
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9.07848553,
0.02821934
],
[
0.02394483,
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9.07861642
]
] | [
[
6.82484671,
2.31750106,
6.8173051
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[
2.24461427,
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[
6.8035117,
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[
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[
2.23565194,
6.81002926,
2.29678063
],
[
6.8223328,
2.30390401,
2.... | [
true,
true,
true
] | Al25Ga7O48 | Al25Ga7O48 | A48B25C7 | [
"Al",
"Ga",
"O"
] | [
0.3125,
0.0875,
0.6
] | [
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13,
31,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
... | 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_1037897350677806800429408 | 10378973506778068004294086257347670928353396835823788085274432196093801368315441913515480416773267715368043399781399475562428255065759554662958393346396512 | 2025-04-16T21:44:51 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.4101 | unknown | 0.06168 | null | null | null | null | null | CO_1069168176493155986163834 | 10691681764931559861638347022226100728631351480125626601285829337159959705710480940228265496009551164112149969616349502179464564560677711496388257828118079 | 12399924644170329229237490149089424273813121751471759192329322143547745961654086131762973597883487879278390363548663676568395345088039078201787724783826465 | [
[
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[
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4.62621753,
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],
[
-0.04203709,
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14.23243433
]
] | [
[
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2.19700839
],
[
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8.94564486
],
[
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12.11680395
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[
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5.10318336
],
[
2.65042658,
1.51050636,
6.76526482
],
[
2.62928381,
1.5094... | [
true,
true,
true
] | Ga6In6O18 | GaInO3 | A3BC | [
"Ga",
"In",
"O"
] | [
0.2,
0.2,
0.6
] | [
31,
49,
49,
31,
31,
49,
49,
31,
49,
31,
31,
49,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 30 | 3 | 3 | [
1,
1,
1
] | [
"sg-167"
] | null | data/MD/0818/MD_8971123915224790780050818.json | null | null | null | {"input": {"band-gap": {"value": "tight"}}, "hash": "897112391522479078005081825423581428423727767536302739485007213427119013770078192004135667245475481965910082775139972640517966207403207876612736112382606", "id": "MD_8971123915224790780050818"} |
PO_1038134851225353026217201 | 10381348512253530262172012525943718702417217366371664244167326882728358049284652724700267557654454154311152535375896512692261015260541426051875094369426443 | 2025-04-16T21:14:40 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 3.0249 | unknown | 0.04848 | null | null | null | null | null | CO_8135673392625781421482193 | 8135673392625781421482193599881860675619900601109853095365857312303519202731745041653443661484348157450588849495514406122959190592060549497934138530982974 | 10350620646689659961348858940605085959346518131334048298069276909717792682779529819426781339414167261912067275133802560900085463119931447707329652204830914 | [
[
9.99559,
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[
5.017812,
2.799081,
-0.240145
],
[
-0.457039,
-0.053619,
14.288099
]
] | [
[
9.131952,
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13.65435
],
[
6.42502,
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0.177454
],
[
9.074978,
1.334879,
1.980597
],
[
4.071395,
1.383887,
2.249442
],
[
3.497153,
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4.833851
],
[
1.56328,
-0.013808,
2.357522
],
[
-0.35110... | [
true,
true,
true
] | Al9Ga7O24 | Al9Ga7O24 | A24B9C7 | [
"Al",
"Ga",
"O"
] | [
0.225,
0.175,
0.6
] | [
31,
31,
31,
13,
31,
13,
13,
31,
13,
13,
13,
13,
13,
31,
13,
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
] | 40 | 3 | 3 | [
1,
1,
1
] | [
"sg-227"
] | null | data/MD/0818/MD_8971123915224790780050818.json | null | null | null | {"input": {"band-gap": {"value": "tight"}}, "hash": "897112391522479078005081825423581428423727767536302739485007213427119013770078192004135667245475481965910082775139972640517966207403207876612736112382606", "id": "MD_8971123915224790780050818"} |
PO_1094531979874744238135604 | 10945319798747442381356044536740237679225869284422535374715407302184368558053657300675579851589438763979517385349769969021283124506066228304033313553292137 | 2025-04-16T18:29:57 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 4.1114 | unknown | 0.02772 | null | null | null | null | null | CO_7099374710851903606572992 | 7099374710851903606572992313691741975586540414711783642757552288737562556322246258860695660279195849185362747231384850737190639898952991103850509415234253 | 1382189208471003374122823618940978973904416222080908875420427522065049594909141958295519905563555821414403050267605956681997025558407526855396911777005148 | [
[
9.87543076,
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-0.00821107
],
[
0.03630821,
8.46631409,
0.00843454
],
[
0.00558464,
0.01306741,
9.13755581
]
] | [
[
1.62409671,
7.2306214,
6.39649019
],
[
6.59227371,
7.16774025,
6.3766627
],
[
3.32628092,
1.32007833,
1.77491524
],
[
8.29534965,
1.23774098,
1.79694071
],
[
0.83856214,
2.90751598,
1.75124527
],
[
5.84636094,
2.93067537,
... | [
true,
true,
true
] | Al28Ga3InO48 | Al28Ga3InO48 | A48B28C3D | [
"Al",
"Ga",
"In",
"O"
] | [
0.35,
0.0375,
0.0125,
0.6
] | [
13,
13,
13,
13,
13,
31,
13,
13,
13,
13,
13,
13,
13,
13,
13,
13,
13,
13,
13,
13,
49,
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13,
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13,
13,
31,
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13,
13,
13,
31,
8,
8,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
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_1094510022673292662385261 | 10945100226732926623852618125930332474567124623863207661992482327065509903281485273004881513594026444625042793502415272139531398876256585829964167360168638 | 2025-04-16T21:17:22 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 4.6705 | unknown | 0.03344 | null | null | null | null | null | CO_2005999765898001151150434 | 2005999765898001151150434758888246987852309346602326652480678196082147976187370337263505313263809759807567663026870939404098926709551467008405612080509480 | 13006582670692994506688611958398422198029751834216413964516278412013979926936298467841257089131630975387066473392124031445146042435148344383862894112829714 | [
[
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[
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9.02572135,
0.00533369
],
[
-0.00520896,
0.00573913,
9.0258771
]
] | [
[
6.78857364,
2.26464165,
6.79478824
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[
2.26489464,
6.80242701,
6.788686
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[
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[
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6.79445705
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[
2.2436815,
6.80894648,
2.31927155
],
[
6.79445039,
2.25206863,
2... | [
true,
true,
true
] | Al29Ga3O48 | Al29Ga3O48 | A48B29C3 | [
"Al",
"Ga",
"O"
] | [
0.3625,
0.0375,
0.6
] | [
13,
13,
13,
13,
13,
13,
13,
13,
13,
13,
13,
13,
13,
13,
13,
13,
13,
13,
13,
31,
13,
13,
13,
31,
13,
13,
13,
13,
13,
13,
31,
13,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
... | 80 | 3 | 3 | [
1,
1,
1
] | [
"sg-206"
] | null | data/MD/0818/MD_8971123915224790780050818.json | null | null | null | {"input": {"band-gap": {"value": "tight"}}, "hash": "897112391522479078005081825423581428423727767536302739485007213427119013770078192004135667245475481965910082775139972640517966207403207876612736112382606", "id": "MD_8971123915224790780050818"} |
PO_5390685075336656514800100 | 539068507533665651480010083734784555327748573168148888127034716619059092128426702891003936929769706753404489544312896268892328285890514652792463933264845 | 2025-04-16T20:35:09 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.0845 | unknown | 0.0412 | null | null | null | null | null | CO_3496414970315699674367803 | 349641497031569967436780350952347370171957713911279024768391882073779206440182038680112014735322933155032625928891612105118221384525554107848158441748491 | 776300103882528301271748827012882303223066231995767576559249094873176634423775448956055283394675804866285676849735694078782695432886929237689780610569808 | [
[
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0.01657698,
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[
0.01881249,
10.02661268,
-0.01541829
],
[
-0.00250071,
-0.01636546,
10.0263061
]
] | [
[
7.50643933,
2.51061532,
7.51444725
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[
2.5494354,
7.49941407,
7.53798
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[
7.52575646,
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2.48793802
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[
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7.53528811,
7.53351451
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[
2.50307536,
7.51746747,
2.48483128
],
[
7.52144287,
2.48993867,
2.... | [
true,
true,
true
] | Ga10In22O48 | Ga5In11O24 | A24B11C5 | [
"Ga",
"In",
"O"
] | [
0.125,
0.275,
0.6
] | [
31,
31,
31,
31,
31,
31,
31,
31,
49,
49,
49,
49,
49,
49,
49,
31,
49,
49,
49,
49,
49,
49,
49,
49,
49,
49,
49,
49,
49,
49,
31,
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8,
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8,
8,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
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_5395081054262396494789236 | 5395081054262396494789236158521136149707487497936392335940980468863396809910446178565342281678844111921685919680631096286315861672918918395498958561753896 | 2025-04-16T16:45:12 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 2.426 | unknown | 0.07892 | null | null | null | null | null | CO_3776749924079574123438219 | 3776749924079574123438219507984339872450855033235841983293820408892560747690241091586674547807457290502721416686704000342684244190478315489655367223602293 | 11908436795034174679083201951027267141132886346295428047363060492299221130836448370721553020591808873105918073509501309880356654337472891481771304407791269 | [
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[
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2.38048196,
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[
7.01657709,
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... | [
true,
true,
true
] | Al14Ga11In7O48 | Al14Ga11In7O48 | A48B14C11D7 | [
"Al",
"Ga",
"In",
"O"
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0.175,
0.1375,
0.0875,
0.6
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8,
8,
8,
... | 80 | 4 | 3 | [
1,
1,
1
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"sg-206"
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PO_5378181496261795995079249 | 5378181496261795995079249237229014840595881513328436525475851345598155408916118174971165724546614909539751056664167188868275383589388508955150489224716015 | 2025-04-16T21:56:50 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 3.4234 | unknown | 0.09164 | null | null | null | null | null | CO_4729231967944271843504689 | 4729231967944271843504689919229536861628735687877677915012373584679922653895613689430045811837429415234051506448116565978560107450475115339221832369279094 | 8422933838756543379414656358665554337210334241926697473192120124360526133313122408675176590647061554759719605059333299431306903956398922314663422651638986 | [
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[
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[
3.118956,
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[
1.5... | [
true,
true,
true
] | Al26Ga6O48 | Al13Ga3O24 | A24B13C3 | [
"Al",
"Ga",
"O"
] | [
0.325,
0.075,
0.6
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
... | 80 | 3 | 3 | [
1,
1,
1
] | [
"sg-194"
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PO_5371000161059393447338209 | 5371000161059393447338209673543681746841180101971425314064829490484229303640055405264043612708072220478234614194361328306750734226850015267940115039943142 | 2025-04-16T15:18:29 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 2.452 | unknown | 0.04888 | null | null | null | null | null | CO_5601162454377751652064799 | 5601162454377751652064799622591369358692300175262508894191714555170087690060212740822897178268815125909018783265826731568528560566675299583204754017645502 | 6648458819199036855654096998443716684666290319713974312086007567354949892589538482077931301069130405852195944831095316450918542687308906185675024148671900 | [
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8.73097206,
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[
0.01982621,
0.03177521,
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1.54260455,
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6.3916237
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[
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[
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[
0.87606992,
3.01012112,
1.76800472
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[
6.15092366,
3.18625493,
... | [
true,
true,
true
] | Al10Ga20In2O48 | Al5Ga10InO24 | A24B10C5D | [
"Al",
"Ga",
"In",
"O"
] | [
0.125,
0.25,
0.025,
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_5376931665485841308571759 | 5376931665485841308571759223838437777519189356683032374915897740779823702018321452216790732734265890184073724862765618948535058180189145087175188407580970 | 2025-04-16T16:04:40 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 2.1963 | unknown | 0.05464 | null | null | null | null | null | CO_1737416673743170567057317 | 1737416673743170567057317402936957997767169001402724410985534584973280654053477931933785047749436136917818734328506862077488574483407710003400142922838388 | 7341999082433024243741725084231477793589362471778019388235827396964735359992197841939963933669750324424243676595974837479045726385086180732875714245384365 | [
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[
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6.26207103,
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[
-1.36951722,
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5.76044825
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11.26692417,
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[
11.25048083,
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[
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[
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[
-0.09963444,
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4.49240345
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[
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3.118194... | [
true,
true,
true
] | Al14Ga9In9O48 | Al14Ga9In9O48 | A48B14C9D9 | [
"Al",
"Ga",
"In",
"O"
] | [
0.175,
0.1125,
0.1125,
0.6
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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_5364087743488829693394238 | 5364087743488829693394238878122780747588924730053968004452219876807026141195656555173935897990530849402346717482961135645954302845750465853870752038392326 | 2025-04-16T17:32:46 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 3.8362 | unknown | 0.03568 | null | null | null | null | null | CO_7710505991093689373516069 | 7710505991093689373516069065974834795629742103362305617002644978601586638102411813525489590129530663755028477016936688832156961522751916893374801921968789 | 7065393649959380775070593235873591900768200587823667431040475794067707011439225764016374484685817218117999818442649370370890656526954223382183472904772564 | [
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[
0.04539535,
8.52957398,
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[
0.06525799,
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9.121535
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] | [
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1.70377898,
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6.31873902
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[
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6.29777954
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[
3.39885267,
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[
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1.68375691
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[
0.88799422,
2.96867967,
1.75557188
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[
5.85296146,
2.97942513,
... | [
true,
true,
true
] | Al26Ga5InO48 | Al26Ga5InO48 | A48B26C5D | [
"Al",
"Ga",
"In",
"O"
] | [
0.325,
0.0625,
0.0125,
0.6
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
... | 80 | 4 | 3 | [
1,
1,
1
] | [
"sg-33"
] | null | data/MD/0818/MD_8971123915224790780050818.json | null | null | null | {"input": {"band-gap": {"value": "tight"}}, "hash": "897112391522479078005081825423581428423727767536302739485007213427119013770078192004135667245475481965910082775139972640517966207403207876612736112382606", "id": "MD_8971123915224790780050818"} |
PO_5372145883067653057246866 | 5372145883067653057246866580277040691533145725405597285721877197958383620635351230684045277588437411965859572403961921870952433844499871778964917696716501 | 2025-04-16T21:30:02 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 2.1341 | unknown | 0.0518 | null | null | null | null | null | CO_7300135601538399247552496 | 730013560153839924755249631394211279008147920639265084145488792996719523853032367060145809672454182428276648638772317893244763600849688200423496614281579 | 10064419299787351306630523640784009113141965311859769656509691919378787644236115501412306254765806845378268215567847301889842917285595409137866525890845820 | [
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25.68874386,
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[
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6.35168867,
0.01594838
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[
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5.78720645
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] | [
[
11.3168688,
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[
11.26176898,
3.15582488,
1.23727612
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[
24.38244785,
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[
24.31165287,
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[
0.21661604,
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4.6643339
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[
0.26417147,
3.1323901... | [
true,
true,
true
] | Al18In14O48 | Al9In7O24 | A24B9C7 | [
"Al",
"In",
"O"
] | [
0.225,
0.175,
0.6
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13,
13,
13,
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,
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_1097498062829359467806784 | 10974980628293594678067847679982980980896339777789668257306059593922192767081222851168650842459804355872760910098788927253596178370277375951881958333167718 | 2025-04-16T15:43:48 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.7347 | unknown | 0.10548 | null | null | null | null | null | CO_4071740106145134344009201 | 4071740106145134344009201659012170451577075866625959209942999512279253149594688081829034165714724475827010676017213282449582369789818368138244849823828003 | 3724031942584088443969364528323715337743388667980100209728363076244308703138773329503250567578559083062020789416959066107769425534254447694683377975087636 | [
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9.2444274,
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[
-0.01129891,
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9.78501082
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] | [
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1.07487692,
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[
4.21621181,
3.13120982,
5.11931367
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[
1.61172311,
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[
3.7616958,
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[
3.70364947,
1.25481329,
7.78413578
],
[
1.6473644,
7.86345668,
... | [
true,
true,
true
] | Al7In9O24 | Al7In9O24 | A24B9C7 | [
"Al",
"In",
"O"
] | [
0.175,
0.225,
0.6
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13,
49,
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49,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 40 | 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_1097729414420903012150618 | 10977294144209030121506180655049604611894264827155965220354156452738070827459872787429892361294671808686018176374900250033790043245234626906309002430821344 | 2025-04-16T21:29:37 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.0079 | unknown | 0.01792 | null | null | null | null | null | CO_1532189443517511099085882 | 1532189443517511099085882229960098718056053391068568564385914348905225815335749301517475445974741086236873525271992118039605038474666451555628243885852605 | 8423382738658955088242476842562644577913769557528276935138676380543530558675935439878877563506733695796316103063850614080463539286858117947080102839704502 | [
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[
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[
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] | [
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[
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[
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[
2.5527698,
7.6566816,
2.55657689
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[
7.65523782,
2.55085346,
2... | [
true,
true,
true
] | Al2In30O48 | AlIn15O24 | A24B15C | [
"Al",
"In",
"O"
] | [
0.025,
0.375,
0.6
] | [
49,
49,
49,
13,
13,
49,
49,
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49,
49,
49,
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49,
49,
49,
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49,
49,
49,
49,
49,
49,
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8,
8,
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8,
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8,
8,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
... | 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_5427537384134302379749140 | 5427537384134302379749140405918922735752923949256937741649750807301831932830483330402257683022134157868144752711268008618609333101930609841822180552264400 | 2025-04-16T18:26:37 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 3.1987 | unknown | 0.03584 | null | null | null | null | null | CO_2160401036364370452598689 | 2160401036364370452598689839763555164558852723910157418454063319459436555758176788456938975279261456428817685983766523642426940823285836402749543298736729 | 5030311458202168371924853023577659515466652098690244916777171978737149267410684230332162417077346209388477912870436351086008244026300959316591518581881168 | [
[
9.24145275,
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0.00733643
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[
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9.23849768,
0.00325179
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[
0.00749102,
0.00452166,
9.23688095
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] | [
[
6.94080561,
2.33591429,
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[
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[
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[
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[
2.29138498,
6.89470791,
2.29998131
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[
6.96423507,
2.34167709,
... | [
true,
true,
true
] | Al13Ga19O48 | Al13Ga19O48 | A48B19C13 | [
"Al",
"Ga",
"O"
] | [
0.1625,
0.2375,
0.6
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13,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
... | 80 | 3 | 3 | [
1,
1,
1
] | [
"sg-206"
] | null | data/MD/0818/MD_8971123915224790780050818.json | null | null | null | {"input": {"band-gap": {"value": "tight"}}, "hash": "897112391522479078005081825423581428423727767536302739485007213427119013770078192004135667245475481965910082775139972640517966207403207876612736112382606", "id": "MD_8971123915224790780050818"} |
PO_5424288115642512919420975 | 5424288115642512919420975269840138745829544390353494218033837574034627190610000658019157679173979696383486616382238963905584013148470262937441150071952008 | 2025-04-16T21:21:56 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 0.571 | unknown | 0.14016 | null | null | null | null | null | CO_1134435575884324842464136 | 11344355758843248424641360095014286905935195367696704444632889094336945485263563116352026720208893026429218713401144955063375730434815990450730918538234002 | 2053624945485131629805634551809323813005591120634713311338109993978606552473126837291198278358351092672688226428699895665046143847187239664899131176526369 | [
[
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[
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6.04389503,
0.04587982
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[
0.04323353,
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24.56055745
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] | [
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0.12465436,
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[
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[
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[
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18.13397107
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[
3.43723771,
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6.1731026
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[
3.52173603,
-0.11973876... | [
true,
true,
true
] | Al7Ga5In20O48 | Al7Ga5In20O48 | A48B20C7D5 | [
"Al",
"Ga",
"In",
"O"
] | [
0.0875,
0.0625,
0.25,
0.6
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31,
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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,
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_1096685918821485227310317 | 1096685918821485227310317484208405002925652410676865423284815011461032111490752571703656131043512996898835761186558303632586763224292490982225574657057934 | 2025-04-16T17:08:25 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 2.3038 | unknown | 0.07924 | null | null | null | null | null | CO_7815090322482827637965678 | 781509032248282763796567851669298583891713661697868557728115813249157242759427240734109640420395579899780609647085256458099278098948158707952031042698705 | 4700824569680254117753210337984959749311826205931928831076014860162571618663701776920837464484516895924220808784245873785936091602862548099874951366157865 | [
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[
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9.49365526,
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[
0.04035673,
0.02276247,
9.46561656
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] | [
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7.05077035,
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[
2.35251267,
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7.05540603
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[
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[
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[
2.40656411,
7.03493441,
2.31819111
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[
7.06424607,
2.41287121,
... | [
true,
true,
true
] | Al12Ga12In8O48 | Al3Ga3In2O12 | A12B3C3D2 | [
"Al",
"Ga",
"In",
"O"
] | [
0.15,
0.15,
0.1,
0.6
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31,
13,
49,
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31,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
... | 80 | 4 | 3 | [
1,
1,
1
] | [
"sg-206"
] | null | data/MD/0818/MD_8971123915224790780050818.json | null | null | null | {"input": {"band-gap": {"value": "tight"}}, "hash": "897112391522479078005081825423581428423727767536302739485007213427119013770078192004135667245475481965910082775139972640517966207403207876612736112382606", "id": "MD_8971123915224790780050818"} |
PO_5410639633690094399958651 | 5410639633690094399958651059708719959497858595033863753338932009330604105370440873131392077255506635928552137419310614557469700070722174428120325020209476 | 2025-04-16T20:47:45 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.9315 | unknown | 0.05896 | null | null | null | null | null | CO_1485093596083897406807735 | 1485093596083897406807735210793115669015687797762694043726683382513582815083444813982735631486318047104378864331358474203430191827103913592279603577573370 | 6385420511254741104093252176128142457078913242127634409604094989792311940712806152785740760570647615671682299876447799549316398609256866551553730297587656 | [
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[
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6.24846908,
0.04590462
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[
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5.76509905
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11.05300737,
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[
11.05156511,
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[
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[
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4.55739124
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[
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3.027316... | [
true,
true,
true
] | Al9Ga16In7O48 | Al9Ga16In7O48 | A48B16C9D7 | [
"Al",
"Ga",
"In",
"O"
] | [
0.1125,
0.2,
0.0875,
0.6
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31,
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49,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
... | 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_5402380847574612814029831 | 5402380847574612814029831576419494608202331810757909846824960838165067253998901086717968485270067319108761990128615452838695050063964529902580484473072176 | 2025-04-16T21:28:46 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.2276 | unknown | 0.12624 | null | null | null | null | null | CO_7498148066617332303150955 | 749814806661733230315095543359255755408066415950106984677564505237986523944899522105573392646226284383848694599066267966521369499218490715749747266467717 | 4004329336781431122715974800149701470218457962375278650091141373390549814270906715670702589313760147958422817893851785022546173039666224501474743044497369 | [
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[
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5.78230209,
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[
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0.1228259,
24.33155278
]
] | [
[
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6.39780139
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[
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0.15966951,
18.10193466
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[
4.82252645,
2.81167832,
6.30419672
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[
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3.06225861,
18.10552035
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[
3.57986359,
-0.12584736,
6.16471739
],
[
3.28155525,
0.150918... | [
true,
true,
true
] | Al14Ga2In16O48 | Al7GaIn8O24 | A24B8C7D | [
"Al",
"Ga",
"In",
"O"
] | [
0.175,
0.025,
0.2,
0.6
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31,
49,
49,
49,
13,
49,
13,
49,
49,
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13,
49,
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13,
49,
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31,
49,
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8,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
... | 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_5405586107271802669026169 | 5405586107271802669026169301247812510269996200814749176374292113560514297594745550477660213783638438996385154050160605087548502503518495845933289482807140 | 2025-04-16T18:47:54 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 2.707 | unknown | 0.01812 | null | null | null | null | null | CO_1165840944180889860326409 | 11658409441808898603264094140298912796272195872465566349497786077982939713780815894298944782806014473663979201999423184857531798392627555579891827552185233 | 11415002202215165528865129243332701269079161428915922255076755149774372205835213256441058808372221329504438572551972157123183553744671909262586024490728978 | [
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[
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8.642792,
0.01647
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[
-0.03076,
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9.311115
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] | [
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0.971857,
5.732223,
0.056562
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[
4.080309,
2.885308,
4.719228
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[
1.554444,
1.387145,
4.692397
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[
3.49831,
7.252738,
0.067786
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[
3.459778,
1.226022,
7.328196
],
[
1.574678,
7.330619,
2.711514
],
[
4.076867,
... | [
true,
true,
true
] | Al5Ga11O24 | Al5Ga11O24 | A24B11C5 | [
"Al",
"Ga",
"O"
] | [
0.125,
0.275,
0.6
] | [
31,
13,
13,
31,
31,
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31,
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31,
31,
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31,
13,
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31,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 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_5405791965371949200813863 | 5405791965371949200813863887704472690406994155501792400584763767172715684939389455627152938331911876979487731121990930609490958308027405263140933694495389 | 2025-04-16T17:11:24 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 3.6324 | unknown | 0.02616 | null | null | null | null | null | CO_6409739266286817232364505 | 6409739266286817232364505010063293328699003512715355759498944810051510669841061627977881144072080814815059672561934345891955461420929790470339448506461261 | 8294098023482670760847321260966569289379212366777076174930239072998573545405543131403995694332945269022730821072973011377406684526405093212487609070216235 | [
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[
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4.26247533,
0.00111382
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[
0.01122178,
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13.38911341
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] | [
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0.00168557,
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[
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[
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11.42290691
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[
0.00412367,
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4.74321239
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[
2.46692951,
1.43847012,
6.39667464
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[
2.47222221,
1.43994437,
... | [
true,
true,
true
] | Al6Ga6O18 | AlGaO3 | A3BC | [
"Al",
"Ga",
"O"
] | [
0.2,
0.2,
0.6
] | [
13,
13,
31,
13,
31,
31,
13,
31,
13,
31,
13,
31,
8,
8,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 30 | 3 | 3 | [
1,
1,
1
] | [
"sg-167"
] | null | data/MD/0818/MD_8971123915224790780050818.json | null | null | null | {"input": {"band-gap": {"value": "tight"}}, "hash": "897112391522479078005081825423581428423727767536302739485007213427119013770078192004135667245475481965910082775139972640517966207403207876612736112382606", "id": "MD_8971123915224790780050818"} |
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[
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[
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[
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7.56278074,
2.51958338,
... | [
true,
true,
true
] | Al5In27O48 | Al5In27O48 | A48B27C5 | [
"Al",
"In",
"O"
] | [
0.0625,
0.3375,
0.6
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13,
49,
49,
13,
13,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
... | 80 | 3 | 3 | [
1,
1,
1
] | [
"sg-206"
] | null | data/MD/0818/MD_8971123915224790780050818.json | null | null | null | {"input": {"band-gap": {"value": "tight"}}, "hash": "897112391522479078005081825423581428423727767536302739485007213427119013770078192004135667245475481965910082775139972640517966207403207876612736112382606", "id": "MD_8971123915224790780050818"} |
PO_5405106491993821493912273 | 5405106491993821493912273084254112653218501349546719210859565447121815871836993976481947238456104577856527541549842148065825870099083337260870678629937146 | 2025-04-16T17:45:47 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 4.4249 | unknown | 0.03492 | null | null | null | null | null | CO_1120387153170334423185398 | 11203871531703344231853985804338250064432318871868984488474702878833378691885726604965125375497163767245338156591643337165789207160902273010738235840959228 | 159640872215164473456856957513424005001278879028423080042127391477356764245803856212760097770332552295340235958464280801346032384281851653582243958949824 | [
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[
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9.05622845,
0.02788015
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[
0.01482016,
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[
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[
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[
2.24240149,
6.82277849,
2.29044224
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[
6.76897085,
2.24945613,
... | [
true,
true,
true
] | Al27Ga5O48 | Al27Ga5O48 | A48B27C5 | [
"Al",
"Ga",
"O"
] | [
0.3375,
0.0625,
0.6
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
... | 80 | 3 | 3 | [
1,
1,
1
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"sg-206"
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PO_5397781728433009360415037 | 539778172843300936041503707020053565211204405118918042730596402714756183987783462479781113119692245525826571955981327790093958387287745758959945502554159 | 2025-04-16T16:55:04 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.9456 | unknown | 0.05044 | null | null | null | null | null | CO_3823063211577057164793316 | 3823063211577057164793316618259445213867070691956287276590927619987191601414257517899132255035211336992685871089309152272583242701323015288227965051093743 | 10070611414304304031598826817888782393310655108124515747812794143539052403584161786173719821424859234257393057799876116012308923754517805557786303323885206 | [
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25.3706041,
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6.29436817,
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[
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11.15862634,
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1.26865937
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[
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[
0.07560729,
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4.60816634
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[
0.06935716,
3.06731098,... | [
true,
true,
true
] | Al11Ga12In9O48 | Al11Ga12In9O48 | A48B12C11D9 | [
"Al",
"Ga",
"In",
"O"
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0.1375,
0.15,
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8,
... | 80 | 4 | 3 | [
1,
1,
1
] | [
"sg-12"
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PO_5394900405959202818986776 | 5394900405959202818986776462335029755811935954079741015768756928990786370708987906572776493250986637430418236123276368971451798448305865440281647753739975 | 2025-04-16T20:17:40 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.8523 | unknown | 0.07048 | null | null | null | null | null | CO_1233097226581228067484533 | 12330972265812280674845332719618643998027581312435813295433653594464294992869455994508126603386299273621311170097501623747030779752453545617513434987175786 | 10901482342672283846513702115523711547826039871837893284629899124745945888169642776878239912425846112456758188922716274815871572103782361036999465534212151 | [
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[
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11.36789603,
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0.03150696,
0.0042326,
4.59643773
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[
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3.251893... | [
true,
true,
true
] | Al12Ga7In13O48 | Al12Ga7In13O48 | A48B13C12D7 | [
"Al",
"Ga",
"In",
"O"
] | [
0.15,
0.0875,
0.1625,
0.6
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8,
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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"} |
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[
0.12827407,
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6.00996634
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[
3.63187324,
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... | [
true,
true,
true
] | Al8Ga10In14O48 | Al4Ga5In7O24 | A24B7C5D4 | [
"Al",
"Ga",
"In",
"O"
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0.1,
0.125,
0.175,
0.6
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8,
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8,
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8,
8,
8,
8,
... | 80 | 4 | 3 | [
1,
1,
1
] | [
"sg-194"
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[
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14.261116
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3.949362,
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3.867921,
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[
1.441398,
0.039269,
2.281385
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[
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... | [
true,
true,
true
] | Al12Ga4O24 | Al3GaO6 | A6B3C | [
"Al",
"Ga",
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0.3,
0.1,
0.6
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 40 | 3 | 3 | [
1,
1,
1
] | [
"sg-227"
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[
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2.41977656,
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2.34746092
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[
7.11561893,
2.4747223,
2.... | [
true,
true,
true
] | Al14Ga9In9O48 | Al14Ga9In9O48 | A48B14C9D9 | [
"Al",
"Ga",
"In",
"O"
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0.175,
0.1125,
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... | 80 | 4 | 3 | [
1,
1,
1
] | [
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[
3.200221,
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17.909278
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[
1.57285,
... | [
true,
true,
true
] | Al9Ga23O48 | Al9Ga23O48 | A48B23C9 | [
"Al",
"Ga",
"O"
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0.1125,
0.2875,
0.6
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8,
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8,
8,
8,
8,
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8,
8,
8,
8,
... | 80 | 3 | 3 | [
1,
1,
1
] | [
"sg-194"
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-0.00327681
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[
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5.61767136,
0.01382494
],
[
0.01110737,
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24.16623907
]
] | [
[
0.00422031,
0.00036853,
5.99510005
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[
0.01005837,
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18.18187889
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[
4.86554012,
2.79826321,
6.02221934
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[
4.87148879,
2.74210979,
18.15086194
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[
3.23780795,
-0.01171458,
5.9933409
],
[
3.24368157,
-0.0472746,... | [
true,
true,
true
] | Ga28In4O48 | Ga7InO12 | A12B7C | [
"Ga",
"In",
"O"
] | [
0.35,
0.05,
0.6
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31,
49,
31,
31,
31,
49,
31,
31,
31,
49,
31,
31,
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8,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
... | 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_1099893832707835111584285 | 1099893832707835111584285403829204630078771829332933940352505114998961819382797528268549403700228634868502159609018736188813017829179265732585824864916685 | 2025-04-16T21:44:51 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 2.5795 | unknown | 0.07204 | null | null | null | null | null | CO_8169139179998262953465736 | 8169139179998262953465736668522464847284802631520297779749959176145347203539981178911275146176607896653486502924805153263239784452819774970872239200033043 | 1434606567976850881394128332313705816866681567246038162172379652789006197370326358951149286221939407794641378547636900514113155106865596019423875717592824 | [
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[
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8.82612438,
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[
0.05642138,
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9.32570294
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] | [
[
1.63768442,
7.49850197,
6.5428714
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[
6.57645156,
7.53503292,
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[
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[
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1.71402288
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[
0.9462908,
3.05437828,
1.79801318
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[
5.90233541,
2.96676078,
... | [
true,
true,
true
] | Al16Ga11In5O48 | Al16Ga11In5O48 | A48B16C11D5 | [
"Al",
"Ga",
"In",
"O"
] | [
0.2,
0.1375,
0.0625,
0.6
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31,
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31,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
... | 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_1099618671368673351344196 | 10996186713686733513441961563431541643459273538633472115375925504762963920877664115728479473471693948885734708925665443974901439418815158874856562484146559 | 2025-04-16T16:10:07 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.2833 | unknown | 0.0098 | null | null | null | null | null | CO_1171999324964396609240032 | 11719993249643966092400329855608472821668707178042115282680870329723452005653760822747239283932339509555941161447482925542933030715916208608506835189592193 | 5782912214267431256955761966460537512620939357083882295440147997817826458707085024277954524430727827185359112363968907732980782009268771204330857435436167 | [
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[
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[
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5.984839
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11.749966,
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[
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1.19554
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[
25.140636,
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[
25.13985,
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[
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4.77459
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[
0.26819,
3.224665,
4.774521
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[
13.39744... | [
true,
true,
true
] | Ga14In18O48 | Ga7In9O24 | A24B9C7 | [
"Ga",
"In",
"O"
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0.175,
0.225,
0.6
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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-12"
] | null | data/MD/0818/MD_8971123915224790780050818.json | null | null | null | {"input": {"band-gap": {"value": "tight"}}, "hash": "897112391522479078005081825423581428423727767536302739485007213427119013770078192004135667245475481965910082775139972640517966207403207876612736112382606", "id": "MD_8971123915224790780050818"} |
PO_5430854230250443007763995 | 5430854230250443007763995534675932224159822713765624678910229973631260437159892196539867165211770116801676741125330258099920481057093374260671481455325692 | 2025-04-16T20:19:21 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.9132 | unknown | 0.04804 | null | null | null | null | null | CO_7218691354374538964557449 | 7218691354374538964557449756436112426059866180947087728053595624132047568759327176819299285438388675096515985512570830192950990797846860912047297450786607 | 11910949592064064761280903366823166718711721490084558948624447737368910569789799457533692280847555668744942170465282795158298652472016607228275174685587774 | [
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25.27139268,
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[
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[
11.53763631,
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1.5513879
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[
11.54820366,
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[
23.70613369,
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[
23.66039822,
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[
-0.25579841,
0.01983107,
4.36276904
],
[
-0.23656462,
3.130323... | [
true,
true,
true
] | Al14Ga9In9O48 | Al14Ga9In9O48 | A48B14C9D9 | [
"Al",
"Ga",
"In",
"O"
] | [
0.175,
0.1125,
0.1125,
0.6
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13,
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31,
31,
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31,
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49,
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49,
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31,
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49,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
... | 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_5430904779228041729337436 | 5430904779228041729337436548428962251653776767129514854136854926772481787919447265612971115665382330373419827358936537079138172593426567235134539852289871 | 2025-04-16T18:45:26 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 0.4986 | unknown | 0.13712 | null | null | null | null | null | CO_6074191973508313962506853 | 6074191973508313962506853583651074284752280174147000326322077901081693977761163039106493258494416860389733281133722365742114051021818541770112184205860882 | 4566241046821629832772314792796831506273702940317979954676848396420659767118643435885344144757118577587683520086043010517540414113554456589232383528753568 | [
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[
5.29610404,
3.33784499,
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[
0.2047489,
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15.06383841
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2.30682517,
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[
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15.4838729
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[
10.56621432,
2.19022843,
2.17448492
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[
5.02424697,
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2.31184344
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[
5.24902028,
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5.4132706
],
[
2.08877952,
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... | [
true,
true,
true
] | Ga4In12O24 | GaIn3O6 | A6B3C | [
"Ga",
"In",
"O"
] | [
0.1,
0.3,
0.6
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49,
49,
31,
49,
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49,
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31,
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31,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 40 | 3 | 3 | [
1,
1,
1
] | [
"sg-227"
] | null | data/MD/0818/MD_8971123915224790780050818.json | null | null | null | {"input": {"band-gap": {"value": "tight"}}, "hash": "897112391522479078005081825423581428423727767536302739485007213427119013770078192004135667245475481965910082775139972640517966207403207876612736112382606", "id": "MD_8971123915224790780050818"} |
PO_5437944168608956371882798 | 5437944168608956371882798487854561212677350784307245021199287044851931934380998132111984117126557647723994802963784183445904402143761803215881536401909711 | 2025-04-16T18:30:57 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 3.0289 | unknown | 0.0884 | null | null | null | null | null | CO_6939071052329898189816537 | 6939071052329898189816537967546180061687365832541805985336234196716480298209995405714965404049185278217274387303309255875003358479386375286665263428919209 | 8747941530281482961065901282722689788827817033895737747761846989808885563874537675009198555211739073621579741414535211709003144582963476665933800321313935 | [
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[
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5.362613,
0.007782
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[
0.032343,
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23.555099
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] | [
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[
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[
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[
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5.872077
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[
3.114107,
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17.668113
],
[
1.55... | [
true,
true,
true
] | Al21Ga11O48 | Al21Ga11O48 | A48B21C11 | [
"Al",
"Ga",
"O"
] | [
0.2625,
0.1375,
0.6
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13,
13,
31,
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31,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
... | 80 | 3 | 3 | [
1,
1,
1
] | [
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] | null | data/MD/0818/MD_8971123915224790780050818.json | null | null | null | {"input": {"band-gap": {"value": "tight"}}, "hash": "897112391522479078005081825423581428423727767536302739485007213427119013770078192004135667245475481965910082775139972640517966207403207876612736112382606", "id": "MD_8971123915224790780050818"} |
PO_5442740168576982631532096 | 5442740168576982631532096846555017317547901991383271160218969310219513724028906782609238496330777548078870201054198506774716292464328053871554156038627564 | 2025-04-16T18:46:02 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.228 | unknown | 0.06328 | null | null | null | null | null | CO_6786572265694444916637362 | 6786572265694444916637362645877596195986574012357072444490281191499381681808427242864906485751772551830416996571710766148776361549714074086806375761068476 | 1527167262721628191658214845511662633979091643542076753190277343641671788219501751795597156638173525302519237229477555812002730114993825726162941261086484 | [
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[
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4.26226987,
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[
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14.28405376
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[
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[
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0.41066725,
12.29167452
],
[
4.8902067,
1.13966975,
... | [
true,
true,
true
] | Ga10In14O36 | Ga5In7O18 | A18B7C5 | [
"Ga",
"In",
"O"
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0.16666666666666666,
0.23333333333333334,
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,
8,... | 60 | 3 | 3 | [
1,
1,
1
] | [
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] | null | data/MD/0818/MD_8971123915224790780050818.json | null | null | null | {"input": {"band-gap": {"value": "tight"}}, "hash": "897112391522479078005081825423581428423727767536302739485007213427119013770078192004135667245475481965910082775139972640517966207403207876612736112382606", "id": "MD_8971123915224790780050818"} |
PO_5442065560480707496492217 | 5442065560480707496492217687044810012145405675845312787671726195617590642185446291308360017227034843028139735795052752885769611713428794113004538447210545 | 2025-04-16T16:32:50 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 2.3364 | unknown | 0.04824 | null | null | null | null | null | CO_1098026315010453165512453 | 10980263150104531655124530464915552919448958743907656461845342599748729655661225521392514020208813735684002165989777552876575774792719092618048964950849922 | 130676576645241277143667887868863942586719886563455509390318394165723119922399589453206931416078172960520241798123328664288841283654835044617823068795966 | [
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6.21929444,
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[
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10.87311668,
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[
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[
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[
0.01612693,
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4.60719632
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[
0.08035295,
3.23272154,
... | [
true,
true,
true
] | Al15Ga10In7O48 | Al15Ga10In7O48 | A48B15C10D7 | [
"Al",
"Ga",
"In",
"O"
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0.1875,
0.125,
0.0875,
0.6
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31,
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49,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
... | 80 | 4 | 3 | [
1,
1,
1
] | [
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PO_5458218999118055879759542 | 545821899911805587975954297152370948972031750940528327438197619036772250815174639433723288487258757142773370822968849278127774171302798646800991945525700 | 2025-04-16T21:21:56 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.9939 | unknown | 0.05452 | null | null | null | null | null | CO_1052385835240410472691657 | 1052385835240410472691657030500107088152998012251341027528380849840103560302691412175426125965929679980495143484213239717219386920294981593173962041536586 | 3455599130918585860445977605282723417012910816844850808308979480774722704215309384440297368343723268367514134663056033663840465447054336652315440891753725 | [
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3.18003... | [
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true,
true
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3.2340228... | [
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true,
true
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1... | [
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true,
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true
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true,
true
] | Al11Ga5O24 | Al11Ga5O24 | A24B11C5 | [
"Al",
"Ga",
"O"
] | [
0.275,
0.125,
0.6
] | [
31,
13,
13,
13,
31,
31,
13,
31,
13,
13,
31,
13,
13,
13,
13,
13,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 40 | 3 | 3 | [
1,
1,
1
] | [
"sg-227"
] | null | data/MD/0818/MD_8971123915224790780050818.json | null | null | null | {"input": {"band-gap": {"value": "tight"}}, "hash": "897112391522479078005081825423581428423727767536302739485007213427119013770078192004135667245475481965910082775139972640517966207403207876612736112382606", "id": "MD_8971123915224790780050818"} |
PO_1102596130799331957102403 | 11025961307993319571024035604681244580619615131659429106235428010014937118531888187495548005844459678775400743588794003929658508934967139420254766358256113 | 2025-04-16T21:44:51 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 2.2398 | unknown | 0.14204 | null | null | null | null | null | CO_2857301997400730954759795 | 2857301997400730954759795798355196343065209715833898481856702922891061348998388572433462342895575398533329193443743993736098184375858634217364855529936759 | 1415525894279451049338476853917918430043800626975605219599873871933421902396430893987018376355101896217359500321600963251759065156919888038814782587114030 | [
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6.32362,
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[
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5.4985,
0.024347
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[
0.010757,
0.023653,
23.801081
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] | [
[
0.001986,
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[
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17.851033
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[
4.700402,
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[
4.718468,
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17.854927
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[
3.136484,
0.033221,
6.034219
],
[
3.161875,
0.004724,
17.809184
],
[
1.4229... | [
true,
true,
true
] | Al25In7O48 | Al25In7O48 | A48B25C7 | [
"Al",
"In",
"O"
] | [
0.3125,
0.0875,
0.6
] | [
49,
13,
13,
13,
49,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
... | 80 | 3 | 3 | [
1,
1,
1
] | [
"sg-194"
] | null | data/MD/0818/MD_8971123915224790780050818.json | null | null | null | {"input": {"band-gap": {"value": "tight"}}, "hash": "897112391522479078005081825423581428423727767536302739485007213427119013770078192004135667245475481965910082775139972640517966207403207876612736112382606", "id": "MD_8971123915224790780050818"} |
PO_1101810377482034598862234 | 11018103774820345988622349676491108057446683117679599008960848660133659431885286219732844737109520314922672046752222920151793038546794365710787576516806873 | 2025-04-16T16:29:11 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 0.9599 | unknown | 0.21056 | null | null | null | null | null | CO_2079306136807810609822207 | 2079306136807810609822207792029725483667967948775011913856721176538233646899325263003850272613852476220969560843526861681398637013215198017425053857092771 | 5738644052501123646084077908447033329864941106608863876971213735440033876777912713469536695956452162169547196228684418031153348666032717988872785513036745 | [
[
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[
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5.16928878,
0.03788663
],
[
-0.32935111,
0.17784356,
14.58840501
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] | [
[
4.41439461,
0.60136227,
1.85785062
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[
3.40095278,
3.38389267,
1.55569915
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[
1.24470143,
0.88887236,
2.3747499
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[
1.59878699,
4.58366074,
12.03570772
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[
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5.06976962,
12.34584051
],
[
-0.69744609,
2.20622021,... | [
true,
true,
true
] | Al7Ga6In3O24 | Al7Ga6In3O24 | A24B7C6D3 | [
"Al",
"Ga",
"In",
"O"
] | [
0.175,
0.15,
0.075,
0.6
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49,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
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_1101848405619277044467068 | 11018484056192770444670683972448306578457975267546197571964130075459115642665726476602798065430436179202526875934258954382009066977638514058866184838180952 | 2025-04-16T16:05:10 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 2.2335 | unknown | 0.0994 | null | null | null | null | null | CO_1281007417643139392258712 | 12810074176431393922587129125205861171240832268284510867795260185484543517418521750095893334776075829350031153187273002223154353261638425100134246261825636 | 3745046054672824186721943311618263847132075930477315483880088285775883065538903859001014418960694896921182849716276929558410937406095052040494671878471973 | [
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[
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4.45455079,
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[
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13.93857673
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] | [
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0.00747694,
2.12704419
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[
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[
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[
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[
2.54924779,
1.51762804,
6.62020046
],
[
2.5251963,
1.54350868... | [
true,
true,
true
] | Al6GaIn5O18 | Al6GaIn5O18 | A18B6C5D | [
"Al",
"Ga",
"In",
"O"
] | [
0.2,
0.03333333333333333,
0.16666666666666666,
0.6
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49,
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49,
31,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 30 | 4 | 3 | [
1,
1,
1
] | [
"sg-167"
] | null | data/MD/0818/MD_8971123915224790780050818.json | null | null | null | {"input": {"band-gap": {"value": "tight"}}, "hash": "897112391522479078005081825423581428423727767536302739485007213427119013770078192004135667245475481965910082775139972640517966207403207876612736112382606", "id": "MD_8971123915224790780050818"} |
PO_5471419984447814257961092 | 5471419984447814257961092952515217597939516124826113977537500372365234804615361495601775351487761591486874642437208620081506978877218543118676103419098134 | 2025-04-16T17:11:15 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 2.9343 | unknown | 0.01608 | null | null | null | null | null | CO_1290083915456212868506111 | 1290083915456212868506111364955095184003964940415847335555199476845055673634827230844266629515809380114324194934962790969407437938608547671855643700094788 | 5613125605205290123562809884759009110811176172058464013691067787645573385961750649249328604256586925336208025734685356413737425633180926066307278888045133 | [
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[
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[
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] | [
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10.840112,
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[
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[
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[
6.112407,
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[
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[
1.563265,
1.52601,
1.755043
],
[
3.233135,
... | [
true,
true,
true
] | Al4Ga4O12 | AlGaO3 | A3BC | [
"Al",
"Ga",
"O"
] | [
0.2,
0.2,
0.6
] | [
31,
13,
13,
31,
13,
31,
13,
31,
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_5476628196531149937024174 | 5476628196531149937024174126408653973068056144288486781980267282167618680860158221929627491242359038281212192392692086092223246876470862554028687791968354 | 2025-04-16T20:22:20 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 4.2646 | unknown | 0.01656 | null | null | null | null | null | CO_1015643554892475146987951 | 10156435548924751469879519489090380852942457826872395255209274506161028624044268191398274269110165648698283967392333000286675365356871299481753611183380834 | 3667140937253277634298897684427385714206062136123784028057422305074593179896943539709784100693339672900375783818125987746094923946651863710536486766501386 | [
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[
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[
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13.32077417
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] | [
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[
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[
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[
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[
2.44289957,
1.41471915,
6.38578537
],
[
2.44087896,
1.41583704,
... | [
true,
true,
true
] | Al8Ga4O18 | Al4Ga2O9 | A9B4C2 | [
"Al",
"Ga",
"O"
] | [
0.26666666666666666,
0.13333333333333333,
0.6
] | [
13,
31,
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13,
13,
31,
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31,
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8,
8,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 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_5478987078355080125426866 | 5478987078355080125426866333450493630291601342356028724051984099766441612125405453789197733594954724947219768976050726092753944917588209176056607638464418 | 2025-04-16T21:22:40 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.2998 | unknown | 0.0828 | null | null | null | null | null | CO_3806036239486359325108185 | 3806036239486359325108185102754132813368371916519891449305828676901712067203099585179282128762090122080406964072223386163453706680190158374561131877694188 | 5563198293009284234713016850289846038304817766358178980596914209199467129641982352154970569418120057770987882044725161476463768166372261184947775882703426 | [
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[
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[
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] | [
[
7.21213909,
2.41638542,
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[
2.51261973,
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6.99353893
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[
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[
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[
2.34053695,
7.396752,
2.32936773
],
[
7.31925971,
2.36211713,
... | [
true,
true,
true
] | Al9Ga4In19O48 | Al9Ga4In19O48 | A48B19C9D4 | [
"Al",
"Ga",
"In",
"O"
] | [
0.1125,
0.05,
0.2375,
0.6
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31,
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49,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
... | 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_5480776757057294335036683 | 548077675705729433503668370904411643801153334843230569218127727529637045444629438087407472323772767112116707890899253543927814986958513114295828271713191 | 2025-04-16T21:43:16 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 0.9651 | unknown | 0.07352 | null | null | null | null | null | CO_7620315769348354317920775 | 7620315769348354317920775872342634697172494210259653433732275927158531677718708066939719448759342298527568179210231822755820104883729640922997889703616092 | 12153615452817849380335479658767935860360549256365908345631752210100888102421901336948583566113545637577123941998836359970057344444777572522502566196749788 | [
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[
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[
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10.01583613
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] | [
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[
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[
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[
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[
3.8016981,
1.3239306,
7.80548
],
[
1.80833353,
7.71354517,
2.65... | [
true,
true,
true
] | AlGa4In11O24 | AlGa4In11O24 | A24B11C4D | [
"Al",
"Ga",
"In",
"O"
] | [
0.025,
0.1,
0.275,
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-33"
] | null | data/MD/0818/MD_8971123915224790780050818.json | null | null | null | {"input": {"band-gap": {"value": "tight"}}, "hash": "897112391522479078005081825423581428423727767536302739485007213427119013770078192004135667245475481965910082775139972640517966207403207876612736112382606", "id": "MD_8971123915224790780050818"} |
PO_5483191787178744901685772 | 5483191787178744901685772032704286027406029781122529736684085135361294945417576340730622874064987310632026797036265999119679731618696758444150112312577330 | 2025-04-16T21:13:01 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 3.418 | unknown | 0.0284 | null | null | null | null | null | CO_5085467651402971475377575 | 5085467651402971475377575808687338890912906341329846015035335015936757241893380679499655282243585851485947525226029316419509541495075185222170607939898137 | 7372363339259917671483348793043646170894111595995131340445366026431888536771773466177927562708973685431806221090763968776665698726963988280527677226225684 | [
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[
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[
0.00353152,
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13.43332834
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[
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[
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[
2.47431559,
1.4444784,
6.4392997
],
[
2.47586906,
1.44823151,
... | [
true,
true,
true
] | Al5Ga7O18 | Al5Ga7O18 | A18B7C5 | [
"Al",
"Ga",
"O"
] | [
0.16666666666666666,
0.23333333333333334,
0.6
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 30 | 3 | 3 | [
1,
1,
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] | [
"sg-167"
] | null | data/MD/0818/MD_8971123915224790780050818.json | null | null | null | {"input": {"band-gap": {"value": "tight"}}, "hash": "897112391522479078005081825423581428423727767536302739485007213427119013770078192004135667245475481965910082775139972640517966207403207876612736112382606", "id": "MD_8971123915224790780050818"} |
PO_5482977994516561775988877 | 5482977994516561775988877788193925057503919289445599383765477224235814912642128624166697578413408369091079265584172043970620948953925084518037385349057351 | 2025-04-16T17:49:49 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 2.713 | unknown | 0.01684 | null | null | null | null | null | CO_8414097164861935792086662 | 8414097164861935792086662558822712783704608119355338618081792447956010280896023485860663228571431297180629238698913528744093459186693774895141864079767907 | 9548664872441966563149774041212105278852051871455758585676375284997249761652045388495314760201991245781825719361956614798839874682338077647290222728888565 | [
[
5.015427,
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[
0.02433,
8.666266,
0.014685
],
[
-0.018846,
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9.346176
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] | [
[
0.966555,
5.753434,
0.058375
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[
4.060214,
2.907915,
4.724958
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[
1.548791,
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[
3.479048,
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[
3.486629,
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],
[
1.544889,
7.320036,
2.674034
],
[
4.066144,
... | [
true,
true,
true
] | Al5Ga11O24 | Al5Ga11O24 | A24B11C5 | [
"Al",
"Ga",
"O"
] | [
0.125,
0.275,
0.6
] | [
13,
13,
13,
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31,
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31,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 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_5469701970448492483891448 | 5469701970448492483891448914836716399550092831409501750123666605067124019645379609600313521911373558390772456400873526446116984760804456538575664625405418 | 2025-04-17T17:45:49 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 2.2708 | unknown | 0.04708 | null | null | null | null | null | CO_2583985834678704534326161 | 258398583467870453432616158356050993131899253058651437183552273538901741117334065956559238955339846278388281139689746718488607003593309198664469653959112 | 3032437175256084848809462805224878564501316622727802355706840307719556593752685443589430269136474402558701138585272787331050348717132665774989010669420077 | [
[
12.546036,
0.008781,
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],
[
-0.002505,
3.112862,
0.000914
],
[
-1.342667,
-0.001575,
5.808042
]
] | [
[
11.021438,
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1.094791
],
[
0.01298,
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4.58356
],
[
4.742577,
1.539727,
1.13116
],
[
6.277284,
1.540645,
4.583135
],
[
9.745954,
1.543239,
3.974023
],
[
1.506846,
1.537415,
1.841155
],
[
3.373389,
... | [
true,
true,
true
] | Al3Ga3In2O12 | Al3Ga3In2O12 | A12B3C3D2 | [
"Al",
"Ga",
"In",
"O"
] | [
0.15,
0.15,
0.1,
0.6
] | [
31,
13,
31,
31,
13,
49,
13,
49,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 20 | 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_5470050348550327066534346 | 5470050348550327066534346130022264992355273148056970793306035078609482606955560092742208340229031930754843123935063513744229017605554494692407900396748737 | 2025-04-16T21:43:25 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.9982 | unknown | 0.06228 | null | null | null | null | null | CO_1505038737823567042201882 | 1505038737823567042201882306250171739342582123065798759760001760208002920208389101793540054048608934144240338503776028064335397928010413106175924417886267 | 7739511514450599032320370863756278867136564564597287703700184690271721351824298692816957370320856809423307410574268836148294326429587991434248364939578387 | [
[
25.14359069,
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[
-0.01034326,
6.24937233,
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],
[
-1.41640104,
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5.73672307
]
] | [
[
11.04835867,
0.02266152,
1.2680474
],
[
11.07398035,
3.1040313,
1.26661852
],
[
23.71100853,
0.01493243,
1.53967616
],
[
23.76356775,
3.2163106,
1.54655578
],
[
-0.00509041,
-0.05339783,
4.58628151
],
[
-0.02019978,
3.15597267... | [
true,
true,
true
] | Al13Ga11In8O48 | Al13Ga11In8O48 | A48B13C11D8 | [
"Al",
"Ga",
"In",
"O"
] | [
0.1625,
0.1375,
0.1,
0.6
] | [
31,
13,
31,
31,
13,
13,
13,
31,
31,
49,
31,
49,
13,
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31,
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49,
13,
13,
49,
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31,
49,
49,
31,
49,
13,
49,
8,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
... | 80 | 4 | 3 | [
1,
1,
1
] | [
"sg-12"
] | null | data/MD/0818/MD_8971123915224790780050818.json | null | null | null | {"input": {"band-gap": {"value": "tight"}}, "hash": "897112391522479078005081825423581428423727767536302739485007213427119013770078192004135667245475481965910082775139972640517966207403207876612736112382606", "id": "MD_8971123915224790780050818"} |
PO_5472909470747928427614593 | 5472909470747928427614593296227193539956116126853725629710578875390231254530177320953182476231183119991917010186056976993332092745586307782067558524862355 | 2025-04-16T21:40:11 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.8095 | unknown | 0.11468 | null | null | null | null | null | CO_2095453327942938046582360 | 2095453327942938046582360323922004504561431074036435437585897773254045294161090201177886328813853232806061936132675062452216061412251153937640428007190356 | 3092210109979421666378296035152008286898058918078395945453217405667223639330985612512043616213598529638667655229564625667274476349369370357844567621846713 | [
[
6.46018192,
0.01426047,
0.0034222
],
[
-3.21231133,
5.60085337,
-0.00574834
],
[
0.0062795,
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24.11979603
]
] | [
[
0.00335342,
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6.06161178
],
[
-0.02320007,
-0.0072751,
18.01830929
],
[
4.8579566,
2.81022558,
6.08672414
],
[
4.86800083,
2.93241703,
17.92135187
],
[
3.23391317,
0.01741195,
6.06228454
],
[
3.26427393,
0.01464948,... | [
true,
true,
true
] | Al9Ga16In7O48 | Al9Ga16In7O48 | A48B16C9D7 | [
"Al",
"Ga",
"In",
"O"
] | [
0.1125,
0.2,
0.0875,
0.6
] | [
49,
13,
31,
31,
13,
31,
31,
49,
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31,
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31,
49,
31,
31,
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13,
31,
13,
31,
31,
31,
31,
13,
13,
49,
31,
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31,
31,
49,
8,
8,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
... | 80 | 4 | 3 | [
1,
1,
1
] | [
"sg-194"
] | null | data/MD/0818/MD_8971123915224790780050818.json | null | null | null | {"input": {"band-gap": {"value": "tight"}}, "hash": "897112391522479078005081825423581428423727767536302739485007213427119013770078192004135667245475481965910082775139972640517966207403207876612736112382606", "id": "MD_8971123915224790780050818"} |
PO_5472423921798456080220952 | 5472423921798456080220952008955260363967648709704643001041620464810499295958435383563838436280970273922837283790214054047371604273446257484315930542839053 | 2025-04-16T15:43:51 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.6016 | unknown | 0.06844 | null | null | null | null | null | CO_7534693835418366168181488 | 7534693835418366168181488010834351026661856825842924501074668473337355314875987612934136549886467598894328378998931921010070103012421448668613331725540692 | 5150659840448937658425580217078725544022009795766208767978069928132013595872959136632980081060957914751969207520674497819037133263868437556154721858046441 | [
[
10.48576458,
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[
0.12526031,
9.00683698,
-0.01918554
],
[
0.07075142,
0.02315471,
9.57817117
]
] | [
[
1.77958199,
7.76210873,
6.51683399
],
[
7.19229195,
7.61117534,
6.65162488
],
[
3.57026476,
1.28331528,
1.73441509
],
[
8.80799631,
1.24046174,
1.86037786
],
[
0.87608072,
3.15090174,
1.86707232
],
[
6.29031803,
3.16479758,
... | [
true,
true,
true
] | Al3Ga21In8O48 | Al3Ga21In8O48 | A48B21C8D3 | [
"Al",
"Ga",
"In",
"O"
] | [
0.0375,
0.2625,
0.1,
0.6
] | [
49,
31,
49,
49,
31,
31,
31,
31,
31,
31,
49,
13,
31,
31,
49,
31,
31,
31,
49,
31,
49,
31,
49,
31,
13,
31,
31,
31,
31,
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 | 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_5474383008152173761853557 | 5474383008152173761853557413086401151031823251055731573682782876538966542407392287561463651551381199230515892580719192137810890894062098119038502800315669 | 2025-04-16T18:46:02 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 3.0661 | unknown | 0.04496 | null | null | null | null | null | CO_9434301604916554795601962 | 9434301604916554795601962212926516044659670132827974118183004090486775147407167598532492091653589199313514047703791672026156966935878203921468756456632033 | 2625619566623092110917665777432860985029325848217225947927744932861892377297368818786162065495337408261268932293748465421006362018287215461279054644966216 | [
[
10.03687341,
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[
-0.02858363,
8.65051314,
-0.01512113
],
[
-0.01355406,
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9.21434774
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] | [
[
1.62456101,
7.29456395,
6.3543728
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[
6.59577681,
7.32587827,
6.36484141
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[
3.47965741,
1.23007992,
1.72292266
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[
8.38194529,
1.28237383,
1.790897
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[
0.96469542,
3.0430662,
1.67849719
],
[
5.92095302,
3.01664163,
1.... | [
true,
true,
true
] | Al19Ga11In2O48 | Al19Ga11In2O48 | A48B19C11D2 | [
"Al",
"Ga",
"In",
"O"
] | [
0.2375,
0.1375,
0.025,
0.6
] | [
31,
13,
13,
13,
49,
31,
13,
13,
31,
13,
49,
13,
31,
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13,
31,
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13,
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31,
31,
13,
13,
31,
31,
13,
31,
13,
13,
13,
13,
31,
8,
8,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
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"} |