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_4724327076555515213631704 | 4724327076555515213631704574042397752250519242959555464079200611191786220618688928363857412153895102413657034760949978327667427665387789840167885313397176 | 2025-04-17T17:45:49 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.2649 | unknown | 0.0068 | null | null | null | null | null | CO_6118494851763168977485685 | 6118494851763168977485685905819420202433602983255471357986996393735792241810398756312447256016370265954328743313062738126305731727706852087588348516722645 | 10938857293651019795631060666943784647951234819026214149731375966931160613040761324075972120030158569274792136139804138136598211611121205855340279131516035 | [
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[
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3.244731... | [
true,
true,
true
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... | 80 | 3 | 3 | [
1,
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1
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PO_4714861542619090353982510 | 4714861542619090353982510455019580519699974472809178350182263339395441319733329736634910674683715162753704641370508777007379884695596817403848751484624795 | 2025-04-16T17:18:29 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 2.5224 | unknown | 0.07676 | null | null | null | null | null | CO_4675002772313816546716219 | 4675002772313816546716219103740020425354671288173989117892203503487062952553626552805303491351451548469032236543861205038238918136539725110260429207301073 | 1099680095726790655814356153836862320726191750111835503842584392771121918218327508455739257545898105101769725743606867719290768259617933141460439366374251 | [
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3.15449145,
1.7707012
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[
6.11005776,
2.97337766,
... | [
true,
true,
true
] | Al19Ga6In7O48 | Al19Ga6In7O48 | A48B19C7D6 | [
"Al",
"Ga",
"In",
"O"
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0.075,
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8,
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8,
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8,
... | 80 | 4 | 3 | [
1,
1,
1
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"sg-33"
] | null | data/MD/0818/MD_8971123915224790780050818.json | null | null | null | {"input": {"band-gap": {"value": "tight"}}, "hash": "897112391522479078005081825423581428423727767536302739485007213427119013770078192004135667245475481965910082775139972640517966207403207876612736112382606", "id": "MD_8971123915224790780050818"} |
PO_4717931015579140796985879 | 4717931015579140796985879711476371009131537583749467104358371859832483273166892756604973128027630140792421798393276554894442923334155140703048326837760944 | 2025-04-16T20:41:37 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 0.7401 | unknown | 0.07444 | null | null | null | null | null | CO_1024769782606315811338062 | 10247697826063158113380627883139892792904364336398119008606861151283337782101836167404431144695956723255127292555718533146230895787791600238279662331161446 | 11147464951479382243112129475497374641404267002424730120502202535736751335698952451565666796879056920715610688959365874577573140752397650745614845149502655 | [
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[
1.7285076,
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... | [
true,
true,
true
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"In",
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0.4,
0.6
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] | 40 | 2 | 3 | [
1,
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"sg-33"
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[
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[
0.91159133,
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[
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... | [
true,
true,
true
] | Al25Ga2In5O48 | Al25Ga2In5O48 | A48B25C5D2 | [
"Al",
"Ga",
"In",
"O"
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0.3125,
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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_1064671953331760776249684 | 10646719533317607762496847020664586091404814149226252521388703306708779029432442218507792246172257215818545957393350302919221659590132616539096907975644921 | 2025-04-16T19:01:02 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 3.7216 | unknown | 0.04692 | null | null | null | null | null | CO_1228900082570586097339829 | 12289000825705860973398294915236521512199252512488499636048697021769747128510826548416361970377517615974713417941323466823011220737887758486087383995739423 | 8329382433399179089314588441017566009914297743279652561153729910346534484138483661827234236399926182909330029277674054247334041999175608638404952397012521 | [
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[
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1.77806415
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[
5.85648606,
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... | [
true,
true,
true
] | Al28In4O48 | Al7InO12 | A12B7C | [
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... | 80 | 3 | 3 | [
1,
1,
1
] | [
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[
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[
3.24955647,
-0.08633483... | [
true,
true,
true
] | Al9Ga16In7O48 | Al9Ga16In7O48 | A48B16C9D7 | [
"Al",
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... | 80 | 4 | 3 | [
1,
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1
] | [
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[
1.59399661,
1.58695593,... | [
true,
true,
true
] | Ga4In4O12 | GaInO3 | A3BC | [
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0.6
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] | 20 | 3 | 3 | [
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[
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... | [
true,
true,
true
] | Al7Ga2In23O48 | Al7Ga2In23O48 | A48B23C7D2 | [
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
... | 80 | 4 | 3 | [
1,
1,
1
] | [
"sg-206"
] | null | data/MD/0818/MD_8971123915224790780050818.json | null | null | null | {"input": {"band-gap": {"value": "tight"}}, "hash": "897112391522479078005081825423581428423727767536302739485007213427119013770078192004135667245475481965910082775139972640517966207403207876612736112382606", "id": "MD_8971123915224790780050818"} |
PO_1065973411681424036227023 | 10659734116814240362270231294732956924983561728335712773509261672856022629012635493144530440497620758335103636249743212141456358226346440353266403445117857 | 2025-04-16T15:43:44 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 3.7804 | unknown | 0.02424 | null | null | null | null | null | CO_1797459015303668846574523 | 1797459015303668846574523741869506233522497922954067642086973113525995205893491021968880337076674425252866534180251550822096686769919381816375990280898715 | 2553144265725434314404165575791425796483241951168794382380846539459589480981924675446974774022741925844308884228808146817879133213958696499274595762518502 | [
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[
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4.2672893,
0.00149634
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[
0.00858709,
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] | [
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[
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[
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[
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6.43963612
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[
2.47249101,
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... | [
true,
true,
true
] | Al6Ga6O18 | AlGaO3 | A3BC | [
"Al",
"Ga",
"O"
] | [
0.2,
0.2,
0.6
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8,
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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_1023095685714276284280036 | 10230956857142762842800360972463809669479788231634060978484539746090137155904753877866961559551882504092254845302883949902540082961730916054573171100582023 | 2025-04-16T16:32:30 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 2.0158 | unknown | 0.08596 | null | null | null | null | null | CO_8597743177541155282993879 | 859774317754115528299387968792892550262248577893843185763907978363231946832760695876873307683343713607621127297538816800257880493147198076598878815180016 | 3682529006619946475476886739365819161372723009352276033232732068713839466896789679046387523218419821841564371572889791566584232678631279378708606891589263 | [
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[
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4.51941609,
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[
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0.03649336,
14.12918744
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[
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[
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[
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4.99548267
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[
2.59959121,
1.56200065,
6.64504082
],
[
2.58853234,
1.58003719,... | [
true,
true,
true
] | Al5In7O18 | Al5In7O18 | A18B7C5 | [
"Al",
"In",
"O"
] | [
0.16666666666666666,
0.23333333333333334,
0.6
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49,
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49,
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49,
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8,
8,
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8,
8,
8,
8,
8
] | 30 | 3 | 3 | [
1,
1,
1
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"sg-167"
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PO_1023311828323012270280904 | 10233118283230122702809041425057783930555746809803057842523070658676184778761334962604950439908061535256604436025161953812110854514041393181622388352100897 | 2025-04-16T20:26:29 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 2.6535 | unknown | 0.08104 | null | null | null | null | null | CO_1320162344395509379590780 | 13201623443955093795907800150535927120465998708622847370091247031980792011675203646784476877238946556416746597063570356590336534094916201836759361665962171 | 8441264756223966659501845026896475705750913573848665147724062929718977512958597335439618628841297275598969817606912217625557853670710013667788580346837207 | [
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[
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0.015102
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[
0.052999,
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23.726674
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[
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[
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[
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[
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[
3.164798,
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17.779481
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[
1.57... | [
true,
true,
true
] | Al14Ga18O48 | Al7Ga9O24 | A24B9C7 | [
"Al",
"Ga",
"O"
] | [
0.175,
0.225,
0.6
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8,
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8,
8,
8,
8,
... | 80 | 3 | 3 | [
1,
1,
1
] | [
"sg-194"
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[
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[
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[
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[
2.2570083,
6.86051724,
2.27116407
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[
6.87802414,
2.27919644,
2... | [
true,
true,
true
] | Al30In2O48 | Al15InO24 | A24B15C | [
"Al",
"In",
"O"
] | [
0.375,
0.025,
0.6
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8,
8,
8,
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... | 80 | 3 | 3 | [
1,
1,
1
] | [
"sg-206"
] | null | data/MD/0818/MD_8971123915224790780050818.json | null | null | null | {"input": {"band-gap": {"value": "tight"}}, "hash": "897112391522479078005081825423581428423727767536302739485007213427119013770078192004135667245475481965910082775139972640517966207403207876612736112382606", "id": "MD_8971123915224790780050818"} |
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[
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6.56817801
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[
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6.54410981
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[
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[
1.0248563,
3.40823599,
1.75557085
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[
6.40542094,
3.32037202,
... | [
true,
true,
true
] | Al7Ga7In18O48 | Al7Ga7In18O48 | A48B18C7D7 | [
"Al",
"Ga",
"In",
"O"
] | [
0.0875,
0.0875,
0.225,
0.6
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
... | 80 | 4 | 3 | [
1,
1,
1
] | [
"sg-33"
] | null | data/MD/0818/MD_8971123915224790780050818.json | null | null | null | {"input": {"band-gap": {"value": "tight"}}, "hash": "897112391522479078005081825423581428423727767536302739485007213427119013770078192004135667245475481965910082775139972640517966207403207876612736112382606", "id": "MD_8971123915224790780050818"} |
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[
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0.0162819
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[
0.03881419,
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23.74862632
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[
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[
3.13359871,
0.00030259,
5.87922802
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[
3.16963667,
-0.0165608... | [
true,
true,
true
] | Al14Ga18O48 | Al7Ga9O24 | A24B9C7 | [
"Al",
"Ga",
"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-194"
] | null | data/MD/0818/MD_8971123915224790780050818.json | null | null | null | {"input": {"band-gap": {"value": "tight"}}, "hash": "897112391522479078005081825423581428423727767536302739485007213427119013770078192004135667245475481965910082775139972640517966207403207876612736112382606", "id": "MD_8971123915224790780050818"} |
PO_4722090765808571801515876 | 4722090765808571801515876718125897082736590489598516259919244945115394681250046712907875819051293420340755783049681492799901404321758872664511932688591282 | 2025-04-16T16:10:20 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.0704 | unknown | 0.07068 | null | null | null | null | null | CO_1108346681522531254488128 | 11083466815225312544881280147111215119002407156151536969678121154883370815120216891925083126843090972751095020087228833565016516006604200433019630045470502 | 9573117059294418261607991505173933377837389608782551315072950493956897703170651471243350883617524517484233010035543412019294206347403256460740753983881081 | [
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[
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0.09179526
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[
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] | [
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[
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7.13289094
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[
3.69233473,
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[
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[
0.86977506,
3.32225372,
1.96639262
],
[
6.49792574,
3.21302325,
... | [
true,
true,
true
] | Al5Ga3In24O48 | Al5Ga3In24O48 | A48B24C5D3 | [
"Al",
"Ga",
"In",
"O"
] | [
0.0625,
0.0375,
0.3,
0.6
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31,
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49,
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49,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
... | 80 | 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_4728610395931736346582045 | 4728610395931736346582045113676973059578688614607001183299759996781041881759234172009180207203229495986238932088560538576629653363500804856899470553598431 | 2025-04-16T20:48:21 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.4291 | unknown | 0.04936 | null | null | null | null | null | CO_4256341104557163355166018 | 4256341104557163355166018469486330265944573689221138359793335701087012704562306271641798387546867050280056643901132995320905135291540893101597454183116803 | 7319532241594111309864235470936607756232267267588544338025180202905298075531543946746196991149555189806392366289973313951323961736894778066088269635135471 | [
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[
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0.02549802
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[
0.0412469,
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1.27899827,
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[
3.96040113,
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4.8522481
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[
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[
4.13131415,
1.55400734,
7.81011822
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[
1.13425033,
7.91338187,
... | [
true,
true,
true
] | Ga10In6O24 | Ga5In3O12 | A12B5C3 | [
"Ga",
"In",
"O"
] | [
0.25,
0.15,
0.6
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 40 | 3 | 3 | [
1,
1,
1
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"sg-33"
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PO_4731062997536837732337461 | 4731062997536837732337461915859981662445974778628721086461455955758006574838921880034908444599137380969717040469831271740572637480239191377456045493520218 | 2025-04-16T21:57:13 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.0377 | unknown | 0.03384 | null | null | null | null | null | CO_2678304437832804783571887 | 2678304437832804783571887448525982876117529913954538196159329464370317107360318311892282578184468679020143875680489902491813744188014661073934362288005186 | 3015481509194054536035050018885210816781193151237653544843785271664334172431304192937675889392086734350397876693590247041435214233104346711975727352520944 | [
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10.08206475,
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[
0.003154,
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[
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[
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2.51596555
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[
7.53339046,
2.47991399,
2.... | [
true,
true,
true
] | Ga8In24O48 | GaIn3O6 | A6B3C | [
"Ga",
"In",
"O"
] | [
0.1,
0.3,
0.6
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31,
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8,
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8,
... | 80 | 3 | 3 | [
1,
1,
1
] | [
"sg-206"
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PO_4736977632172820762227619 | 4736977632172820762227619607336545628998201994994799313856331759433514227489780856990037747868972549844534838144003199512201023418932549330001155454648653 | 2025-04-16T16:09:52 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 2.3895 | unknown | 0.08968 | null | null | null | null | null | CO_1082034286447629191699776 | 10820342864476291916997760889474345000922463892204108373347228079006891935610825001133495936859399403791822586887194119596623371418127592932231960341474053 | 12958675782194462797910385742869835962800781655960956183487236987584878507707304514579373599032812559208836079485572893752419390069887775538869394052561697 | [
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[
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1.50692449,
6.57680928
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[
2.51942654,
1.53037559,
... | [
true,
true,
true
] | Al4Ga5In3O18 | Al4Ga5In3O18 | A18B5C4D3 | [
"Al",
"Ga",
"In",
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0.13333333333333333,
0.16666666666666666,
0.1,
0.6
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8,
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8,
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] | 30 | 4 | 3 | [
1,
1,
1
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"sg-167"
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PO_4749168959984934708498718 | 4749168959984934708498718060833867790370192604477305701835921287315810229120081791544114336246281481724265846785537633613300647719130231587314205526189650 | 2025-04-16T16:09:32 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.1609 | unknown | 0.032 | null | null | null | null | null | CO_7841683001842037845799561 | 7841683001842037845799561099786496635900281622309356116616963113613152902693006645388057540679296159259580161849833955746358105203761945306780001780019210 | 11220832906974419307666428840661458162474989076685960293253347301902586757607667116081487780630470684866930705481404747585765444260949217434785435539947726 | [
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5.82741907,
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[
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24.4169299
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[
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[
3.35737854,
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6.21449006
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[
3.34172416,
-0.005979... | [
true,
true,
true
] | Ga17In15O48 | Ga17In15O48 | A48B17C15 | [
"Ga",
"In",
"O"
] | [
0.2125,
0.1875,
0.6
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31,
49,
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8,
8,
8,
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8,
8,
8,
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8,
... | 80 | 3 | 3 | [
1,
1,
1
] | [
"sg-194"
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PO_4749428710673093035528987 | 4749428710673093035528987810992492387663094804098042569588838027595674814337210755262996749001011379828586698012622751207421180196886662995690354744179639 | 2025-04-16T18:54:58 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.2896 | unknown | 0.059 | null | null | null | null | null | CO_6007904293550455513961468 | 6007904293550455513961468011201660091253085310347424514142484037597492514636376359520556179044058969984338498283517860096514940928363532249523657705347060 | 7049562783537200300968250882954490321044815639862665106054708852721781591490066140054197781833735959407784233861682479820275725214520506159170147835326466 | [
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[
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[
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[
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[
2.51134616,
7.39439416,
2.45327092
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[
7.34040741,
2.51690774,
... | [
true,
true,
true
] | AlGa15In16O48 | AlGa15In16O48 | A48B16C15D | [
"Al",
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"In",
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0.0125,
0.1875,
0.2,
0.6
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8,
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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_4754389565992842081279397 | 4754389565992842081279397388439771879562887405945070243030711050779697796300371125957865616064282925816009716840941231794962568204674056419704198607424331 | 2025-04-16T21:51:46 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.6883 | unknown | 0.1296 | null | null | null | null | null | CO_8442829492086603241734211 | 8442829492086603241734211676096121100105495371253763964492287483184014622427843854076853363743778729817682987731136314518647868548733080062376292654145878 | 2654422709246287480477804111171241131761140394389549254866815940064826940596910045502697397663649984081034307086692203465553224980055202024963007439447093 | [
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[
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5.55362529,
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[
0.07848556,
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24.62580784
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[
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18.34663508
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[
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[
3.24850421,
0.04790972,
6.31291108
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[
3.19898725,
0.06572396,
... | [
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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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_4760154719408949704849074 | 47601547194089497048490749023145585386580161883511954009211380772866465497998493612852121634101666666271611540717552324969813848977140111162274197246639 | 2025-04-16T17:21:42 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 0.9844 | unknown | 0.01836 | null | null | null | null | null | CO_1376431249545302072751533 | 1376431249545302072751533984964474873697018856803948947231341286344786051701367218574895117588331945389523298463270645507448069695685847894185330748487872 | 2167911237163846754240032069953943293349955574012346555554601840190477201952333505104070889666783015703863977999735847084113966333310384321632786162456687 | [
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[
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2.5301876,
7.66124296,
2.51860932
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[
7.66252566,
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... | [
true,
true,
true
] | AlGa2In29O48 | AlGa2In29O48 | A48B29C2D | [
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"In",
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0.0125,
0.025,
0.3625,
0.6
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8,
8,
8,
8,
8,
8,
8,
8,
8,
... | 80 | 4 | 3 | [
1,
1,
1
] | [
"sg-206"
] | null | data/MD/0818/MD_8971123915224790780050818.json | null | null | null | {"input": {"band-gap": {"value": "tight"}}, "hash": "897112391522479078005081825423581428423727767536302739485007213427119013770078192004135667245475481965910082775139972640517966207403207876612736112382606", "id": "MD_8971123915224790780050818"} |
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[
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[
2.43400617,
1.41054712,
6.29030243
],
[
2.43081526,
1.41310796... | [
true,
true,
true
] | Al9Ga3O18 | Al3GaO6 | A6B3C | [
"Al",
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] | [
0.3,
0.1,
0.6
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31,
13,
13,
13,
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31,
13,
13,
13,
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_4753303443556636774108847 | 475330344355663677410884779616702809443110708417435669022772807620834288082759567904982595532324548055948957641715018941430968235646850830206778169177100 | 2025-04-16T18:27:49 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 3.116 | unknown | 0.13712 | null | null | null | null | null | CO_7192979274301434534023530 | 7192979274301434534023530593262225960319077317975130762137319731548151350181331103949548598739551790455634525962778885595800756097248324179818796729851398 | 10371046210462397287996538276213190835877864188417057960776543692430399109335566866885956520179288182349665300411241524086552645791023055946568885067117599 | [
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[
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[
0.087136,
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23.704466
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[
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4.674035,
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[
3.122314,
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5.923456
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[
3.152795,
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17.793931
],
[
1.5805... | [
true,
true,
true
] | Al28In4O48 | Al7InO12 | A12B7C | [
"Al",
"In",
"O"
] | [
0.35,
0.05,
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... | 80 | 3 | 3 | [
1,
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1
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"sg-194"
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PO_1024442149061815857889287 | 10244421490618158578892871344229996192751876919608692254188332694449239205041892716762342700312896189257460363458543361284130430891383008071610097267196373 | 2025-04-16T18:25:21 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.5123 | unknown | 0.06408 | null | null | null | null | null | CO_1326556738733122436882884 | 13265567387331224368828843973089494127594945215589597124828666427944426218482349843136421607437550980044950741076876723417570313068008648530876797851924021 | 9298085531334390936871924872352309696317204783493662958559421994345404836841328577568805167858722379752482831514349716293442325982171759790585340150009760 | [
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[
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[
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... | [
true,
true,
true
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"In",
"O"
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0.05,
0.25,
0.1,
0.6
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] | 20 | 4 | 3 | [
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PO_1024665429989183505294859 | 10246654299891835052948595322700848574135789325240533084995656172795178127066917771441360444639781929204556013640029809113841867189693169238134588992874800 | 2025-04-16T20:11:48 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 0.9901 | unknown | 0.09432 | null | null | null | null | null | CO_6599848677068788798258990 | 659984867706878879825899085832852075608120568192246669984287418955210994599701037774117409195362301235510382640273763099727314988884620410857178211646360 | 634153264777643623193013484885332581475467108912490701168526494931529389357387229076445344637103939228662578560592028279864266930573588535326861252671344 | [
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[
1.6375972,
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2... | [
true,
true,
true
] | Al2In14O24 | AlIn7O12 | A12B7C | [
"Al",
"In",
"O"
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0.05,
0.35,
0.6
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] | 40 | 3 | 3 | [
1,
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"sg-33"
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PO_1066267416206672639465118 | 10662674162066726394651189447990900700664211637998342353477931457617599786611384956655166044130283766163669087369572557329231642343210752161414549455490158 | 2025-04-16T17:49:42 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 0.959 | unknown | 0.01328 | null | null | null | null | null | CO_8734124303425100691997585 | 873412430342510069199758527874496834899007516515709300341499423804298082440796162774838563591852730428615994373856593287071685955470275424303553737883706 | 11598357942982839283133865349137535923053450163500027769959245649478204577108897057257594865267214194500641902926404531478313197827306126768304619369420227 | [
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[
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[
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2... | [
true,
true,
true
] | Ga3In29O48 | Ga3In29O48 | A48B29C3 | [
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0.3625,
0.6
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PO_1067379963020539463984867 | 10673799630205394639848671487995933044838722236193426775440392669974329701545270564782542443575587418719823457789900589672145883891787893908425508749547446 | 2025-04-16T17:58:31 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 3.5574 | unknown | 0.065 | null | null | null | null | null | CO_6697964067300798044677605 | 6697964067300798044677605857670275764033180977140019814609722683528137191504520315436981736169000336666081975237132270440146462227537659712167180168485619 | 240421361272481944992878684277214849864296273620276211568975429166735926381809192959619724600478306067068574118710061521995148066349305718178235233748453 | [
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[
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[
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... | [
true,
true,
true
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"In",
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0.03333333333333333,
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] | 30 | 4 | 3 | [
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PO_1067688507350056750298814 | 10676885073500567502988148583520671710971440064933516530605123257877897869046279808905801026964070203517433687861671662202269025660492048132413795010050531 | 2025-04-16T21:22:14 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.2344 | unknown | 0.11548 | null | null | null | null | null | CO_1058660509893432863407391 | 1058660509893432863407391395258017137354083907443878846324531276810924184853470588974512887865696679829727700434441739438643370636535677502566952053153122 | 7167466729722482728684346638280817412508129695079666265519148150465811454626743109596698137712666643176256000564873636775780224280432693967355054010352383 | [
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[
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[
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5.43951739
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[
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3.03355... | [
true,
true,
true
] | Al10In22O48 | Al5In11O24 | A24B11C5 | [
"Al",
"In",
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0.125,
0.275,
0.6
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... | 80 | 3 | 3 | [
1,
1,
1
] | [
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PO_1068090124284117080202791 | 1068090124284117080202791240011710527979345968339362844632182763125939194608475808623323687904814360354194622869317346055439125111764163506756714434386817 | 2025-04-16T21:28:46 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 0.5848 | unknown | 0.139 | null | null | null | null | null | CO_3596040419015565183406321 | 3596040419015565183406321220127086337327510349293409598027174830653210316039294630254420419560586004221656020442815910577897388719442521471695765773473009 | 12492412466463842444242360414210033422232305878932231828799275039515562035556826695175205446312926272855273906428270529343910531151072092540296110497840774 | [
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[
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[
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[
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[
11.80378782,
2.12276807... | [
true,
true,
true
] | Al2Ga9In5O24 | Al2Ga9In5O24 | A24B9C5D2 | [
"Al",
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"In",
"O"
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0.05,
0.225,
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] | 40 | 4 | 3 | [
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1
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"sg-227"
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PO_1023839197232106035946767 | 10238391972321060359467679482634504476145313944988938411170104243738332340099102052330018312764734703702420359300031601069785745360377244818886514796976135 | 2025-04-16T18:34:37 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 0.1952 | unknown | 0.12676 | null | null | null | null | null | CO_1217073332404563965269891 | 12170733324045639652698914378383380017439123560967446540569103421706470412207325335162768881233937107116797316935591692160664659983456108843980095353166196 | 11037555526808755137440964525492310635615616172212720837154486442403583786507921763502167071347533597887557842730974783198450368168794825787195215127405883 | [
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[
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2.93463347
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[
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... | [
true,
true,
true
] | GaIn15O24 | GaIn15O24 | A24B15C | [
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"In",
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0.025,
0.375,
0.6
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] | 40 | 3 | 3 | [
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PO_4787818339851258496216836 | 47878183398512584962168363194374732094712146298550476273906567573695583201302099185632235947444749239455534670440516215030794473830221552945265404940035 | 2025-04-17T18:06:06 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.3528 | unknown | 0.11048 | null | null | null | null | null | CO_6111349965220156247791380 | 6111349965220156247791380330214153883309359137083105601102488888161583504565718843431152651653298427672087896509708110212501670384269493161349711989599752 | 5688885291001441343009747791809131971263554076232101488958674137461001172434789105039211290257931444630202124436559704374313612453934713522970642375555963 | [
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[
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[
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... | [
true,
true,
true
] | Al11GaIn20O48 | Al11GaIn20O48 | A48B20C11D | [
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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_4791086264708079915654664 | 4791086264708079915654664891114628252531795547549002605585344213631789116817068792642231722980428309861701878674642337166430017964101069141150480673409823 | 2025-04-16T17:52:48 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 3.516 | unknown | 0.07712 | null | null | null | null | null | CO_3713915822908076222441097 | 3713915822908076222441097181147429266877686128180471351967173609356732323388168477063466900962341381929125593148434438403705106934260257068667195900632993 | 8066406756608239928596517395447615076144232498514069316858305527207850369372253619167846002699425612932080558103132799790435516495273276617119667777825756 | [
[
9.20584466,
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[
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9.1775529,
-0.07918485
],
[
0.11108475,
0.11036126,
9.18265196
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] | [
[
6.9514081,
2.34978887,
6.81598168
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[
2.44488162,
6.97838963,
6.82485325
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[
6.90721144,
6.88262958,
2.19794242
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[
6.89417289,
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[
2.28468699,
6.92181249,
2.18646299
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[
6.95429573,
2.30083219,
... | [
true,
true,
true
] | Al26Ga2In4O48 | Al13GaIn2O24 | A24B13C2D | [
"Al",
"Ga",
"In",
"O"
] | [
0.325,
0.025,
0.05,
0.6
] | [
13,
31,
31,
13,
13,
13,
13,
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49,
13,
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49,
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49,
8,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
... | 80 | 4 | 3 | [
1,
1,
1
] | [
"sg-206"
] | null | data/MD/0818/MD_8971123915224790780050818.json | null | null | null | {"input": {"band-gap": {"value": "tight"}}, "hash": "897112391522479078005081825423581428423727767536302739485007213427119013770078192004135667245475481965910082775139972640517966207403207876612736112382606", "id": "MD_8971123915224790780050818"} |
PO_4785426034714595245389853 | 4785426034714595245389853520367886928543693480695442720934344320919189013533517101750774985623075538239909255099236718079693622992015025113597375036330093 | 2025-04-16T15:18:28 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 3.2443 | unknown | 0.05712 | null | null | null | null | null | CO_3654635076623367627281365 | 3654635076623367627281365870703764348589797666862356648845609044752267697541657720137877615810207563731589039608650345807757884221993091952497381869083830 | 8947002728127801506700390232796574982469293790731804311234153773989674855767901230235555685109301577195918232414623161534612378492714766619299937143906188 | [
[
9.84526909,
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[
4.96974734,
2.79749522,
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[
-0.14562825,
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13.88012879
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] | [
[
9.56395354,
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13.62783348
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[
6.45570576,
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0.49669693
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[
8.9687601,
1.34887823,
2.16673928
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[
4.06924228,
1.31364759,
2.26679236
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[
4.68438303,
-0.11970289,
5.04568446
],
[
1.57045605,
-0.01136694... | [
true,
true,
true
] | Al12Ga4O24 | Al3GaO6 | A6B3C | [
"Al",
"Ga",
"O"
] | [
0.3,
0.1,
0.6
] | [
31,
13,
13,
31,
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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-227"
] | null | data/MD/0818/MD_8971123915224790780050818.json | null | null | null | {"input": {"band-gap": {"value": "tight"}}, "hash": "897112391522479078005081825423581428423727767536302739485007213427119013770078192004135667245475481965910082775139972640517966207403207876612736112382606", "id": "MD_8971123915224790780050818"} |
PO_4788377857385676555443225 | 4788377857385676555443225485231703292615363814508219030998756185116281405890953371691863027507647867459425285943654508547805336345103352740460900594643601 | 2025-04-16T21:38:17 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 4.3214 | unknown | 0.03628 | null | null | null | null | null | CO_2454001194584057205181205 | 245400119458405720518120541646022009643467793898187549703339855574286647673036266545033783346272384671230776033145515400388831931470365515368285306047655 | 11422632778225162544509100669254115789415015564862155289227273919222349622168658172785612578102761506587752222757219652328731103422147479410517078302377324 | [
[
9.053283,
0.022934,
0.000151
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[
-0.021188,
9.050415,
0.012386
],
[
0.006013,
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9.053195
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] | [
[
6.795011,
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6.781732
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[
2.259519,
6.795375,
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[
6.79482,
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2.28768
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[
6.77969,
6.787886,
6.774258
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[
2.23823,
6.796169,
2.282985
],
[
6.799073,
2.285524,
2.255038
],
[
2.269413,
2... | [
true,
true,
true
] | Al27Ga5O48 | Al27Ga5O48 | A48B27C5 | [
"Al",
"Ga",
"O"
] | [
0.3375,
0.0625,
0.6
] | [
13,
13,
13,
13,
13,
13,
31,
13,
13,
13,
13,
13,
13,
13,
13,
13,
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31,
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31,
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8,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
... | 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_4771690397491110220499220 | 4771690397491110220499220856609804081336526720857350677593021787424641551181373220819198621214255510098196311474910346625718341370174179848992815065679450 | 2025-04-16T16:42:03 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 3.1271 | unknown | 0.03536 | null | null | null | null | null | CO_7442784607393021669136735 | 7442784607393021669136735436453423881401312385175768213089039535752625673818057519521289380588626573905356161027104577727872163611233506796929407875791121 | 7860217824338369684541273123335420131182675809518909288974333305904896013528287030076215596291923907940187102325673957129043664452410506374927024048336318 | [
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[
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9.25187372,
0.03465021
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[
0.02527049,
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9.25584975
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] | [
[
6.98594726,
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6.92460055
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[
2.33659738,
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[
6.94207848,
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[
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6.96048808
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[
2.34373274,
6.9612149,
2.35130779
],
[
6.94630794,
2.28326651,
... | [
true,
true,
true
] | Al12Ga20O48 | Al3Ga5O12 | A12B5C3 | [
"Al",
"Ga",
"O"
] | [
0.15,
0.25,
0.6
] | [
13,
13,
13,
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31,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
... | 80 | 3 | 3 | [
1,
1,
1
] | [
"sg-206"
] | null | data/MD/0818/MD_8971123915224790780050818.json | null | null | null | {"input": {"band-gap": {"value": "tight"}}, "hash": "897112391522479078005081825423581428423727767536302739485007213427119013770078192004135667245475481965910082775139972640517966207403207876612736112382606", "id": "MD_8971123915224790780050818"} |
PO_4772584792968458383240783 | 4772584792968458383240783006581344272770636856379496706802016548205051002349093219517367259135077966876017291704341825481460387515890072778456499471847179 | 2025-04-16T21:12:08 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.9497 | unknown | 0.04412 | null | null | null | null | null | CO_7308795487677675417809692 | 7308795487677675417809692433484148496844770068018600972694888423837085120249794859909623552181326544869245037424139623764902102874330275858218423348838778 | 1224657425906934256035788478044577062533988669866911996548331907504291558127415993286027771986077991876978558701946344023285865474198658798399669810654624 | [
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[
0.02703312,
9.48449722,
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[
0.00887085,
-0.01163544,
9.48568907
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] | [
[
7.12749976,
2.36411855,
7.06692077
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[
2.39843761,
7.09970835,
7.08305803
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[
7.13638849,
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[
7.14084936,
7.1062939,
7.05940013
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[
2.39408482,
7.10571624,
2.34019954
],
[
7.12291116,
2.36970088,
... | [
true,
true,
true
] | Ga29In3O48 | Ga29In3O48 | A48B29C3 | [
"Ga",
"In",
"O"
] | [
0.3625,
0.0375,
0.6
] | [
49,
31,
31,
31,
31,
31,
49,
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31,
31,
31,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
... | 80 | 3 | 3 | [
1,
1,
1
] | [
"sg-206"
] | null | data/MD/0818/MD_8971123915224790780050818.json | null | null | null | {"input": {"band-gap": {"value": "tight"}}, "hash": "897112391522479078005081825423581428423727767536302739485007213427119013770078192004135667245475481965910082775139972640517966207403207876612736112382606", "id": "MD_8971123915224790780050818"} |
PO_4769496089269599765670111 | 4769496089269599765670111790503845782120977031831185211848923580922259624554232640800116322951185992106353640089796953421703530809842756211569409071848286 | 2025-04-16T20:19:31 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 0.9689 | unknown | 0.02472 | null | null | null | null | null | CO_2619507659159974424558656 | 2619507659159974424558656910566962184653920674061139977839929933663041473894816493907696442603830100448938883547138291089490262971661453699159039829265791 | 11131542656309892380551107033170553880569817535176867953235293636347989937469180426670189527265503303391003780304285708572216155258203673496407520948226654 | [
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[
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[
0.00217676,
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10.16554972
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] | [
[
7.61924869,
2.54009146,
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[
2.54298237,
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7.63183689
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[
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[
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[
2.55880468,
7.64427489,
2.53362377
],
[
7.57147496,
2.50765948,
... | [
true,
true,
true
] | Ga5In27O48 | Ga5In27O48 | A48B27C5 | [
"Ga",
"In",
"O"
] | [
0.0625,
0.3375,
0.6
] | [
31,
31,
31,
49,
49,
49,
49,
31,
49,
49,
49,
49,
49,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
... | 80 | 3 | 3 | [
1,
1,
1
] | [
"sg-206"
] | null | data/MD/0818/MD_8971123915224790780050818.json | null | null | null | {"input": {"band-gap": {"value": "tight"}}, "hash": "897112391522479078005081825423581428423727767536302739485007213427119013770078192004135667245475481965910082775139972640517966207403207876612736112382606", "id": "MD_8971123915224790780050818"} |
PO_4758163049949524523295134 | 4758163049949524523295134843312704104576438853474002125023812645720628903391381838520917142731430974954786458503485842946873608099537000919351070935030205 | 2025-04-16T16:03:23 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.3635 | unknown | 0.13464 | null | null | null | null | null | CO_5944936899280485793683558 | 5944936899280485793683558382270264634928768611861517842059384876112063689278127256390253882740528027110555274381460883329764490146580850139886561393865040 | 888979955003617986455393898527321553148098334899296846701322324879757327785446355785765519812429852854420220788516812528110323365583028472675775686606155 | [
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10.30295179,
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[
5.11338143,
3.03323866,
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[
-0.20679817,
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14.59302846
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] | [
[
8.3499758,
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13.89531498
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[
6.77769449,
0.0384729,
2.17019545
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[
4.92886416,
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0.11345041
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[
9.37214067,
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2.18104123
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[
4.2160699,
1.53210861,
2.29439074
],
[
5.0728513,
0.02545543,
5... | [
true,
true,
true
] | Al7Ga4In5O24 | Al7Ga4In5O24 | A24B7C5D4 | [
"Al",
"Ga",
"In",
"O"
] | [
0.175,
0.1,
0.125,
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,
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_4758924356805447784528919 | 4758924356805447784528919345094478736789054945425508552064636123647409192269616028258597273619059110341766273664209753166160043603218826689935222902481180 | 2025-04-16T19:49:49 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 2.2581 | unknown | 0.12464 | null | null | null | null | null | CO_7854618610667587412891426 | 7854618610667587412891426713187835924813175400444008077644403549065497437641214389553015351967579698340812778335929517014753862361775551325079717132615880 | 1493474299178649206159784727832926880929596226534776099264283899261563580360999417341028526000231710255389111060499509997114421710553107611995968735349680 | [
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[
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4.90006039,
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],
[
-0.4954927,
0.29131099,
14.84335744
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] | [
[
4.04410958,
1.51868062,
1.81854121
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[
1.86570522,
3.42143697,
2.45539902
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[
1.11397437,
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[
1.39085317,
4.51504105,
11.718129
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[
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4.47843335,
12.17206243
],
[
-0.00009259,
2.0386145,
... | [
true,
true,
true
] | Al14In2O24 | Al7InO12 | A12B7C | [
"Al",
"In",
"O"
] | [
0.35,
0.05,
0.6
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49,
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13,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 40 | 3 | 3 | [
1,
1,
1
] | [
"sg-227"
] | null | data/MD/0818/MD_8971123915224790780050818.json | null | null | null | {"input": {"band-gap": {"value": "tight"}}, "hash": "897112391522479078005081825423581428423727767536302739485007213427119013770078192004135667245475481965910082775139972640517966207403207876612736112382606", "id": "MD_8971123915224790780050818"} |
PO_4766504953743802204467976 | 476650495374380220446797612641266546434150022321451348241697366921731650479684295299847740555882956118005269325144057799968724814984866941037090272616574 | 2025-04-16T17:08:55 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.6976 | unknown | 0.09608 | null | null | null | null | null | CO_1040318922416697116020673 | 10403189224166971160206734913115619644789493475047126056331743146014155427427070811317848651838507036122322802578336583671941388815906159310011125271348448 | 10976868626887408349137675152365295653641137338759292054050165326568202132871003500655942905896794173989631392352966072654099420695803406381055028979111555 | [
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[
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[
0.14179417,
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] | [
[
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7.86168553,
6.81261477
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[
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[
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[
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[
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3.24205919,
1.77679252
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[
6.26483106,
3.18353503,
... | [
true,
true,
true
] | Al10Ga9In13O48 | Al10Ga9In13O48 | A48B13C10D9 | [
"Al",
"Ga",
"In",
"O"
] | [
0.125,
0.1125,
0.1625,
0.6
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13,
31,
31,
49,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
... | 80 | 4 | 3 | [
1,
1,
1
] | [
"sg-33"
] | null | data/MD/0818/MD_8971123915224790780050818.json | null | null | null | {"input": {"band-gap": {"value": "tight"}}, "hash": "897112391522479078005081825423581428423727767536302739485007213427119013770078192004135667245475481965910082775139972640517966207403207876612736112382606", "id": "MD_8971123915224790780050818"} |
PO_4775394343758394654904609 | 4775394343758394654904609781942993206526963649080695943995230568787986532741694175176470717464899079491072909111865611181293784936208106490242043105160026 | 2025-04-16T16:48:31 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 2.2655 | unknown | 0.09312 | null | null | null | null | null | CO_4630296452217984283599589 | 4630296452217984283599589797442069293949201822664136975435573554311792362240230676920110366008042739406638646677859696648593364630183450942000828974506440 | 4691825378628164102491118239867194665284154011415736119629583217275734162901722918908972948361958086994315298664444361811615375725518994923501209302560490 | [
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[
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9.47124919,
0.06383574
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[
0.06377318,
0.0817684,
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] | [
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[
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[
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[
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[
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7.1084962,
2.5032448
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[
7.20476676,
2.44502771,
2.... | [
true,
true,
true
] | Al14Ga9In9O48 | Al14Ga9In9O48 | A48B14C9D9 | [
"Al",
"Ga",
"In",
"O"
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0.175,
0.1125,
0.1125,
0.6
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8,
8,
8,
8,
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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_4776539116767075478332683 | 4776539116767075478332683560932499754122864596785937214569441144089650984361563148698106377519781058048091313783379507907312042782379465769442046479780643 | 2025-04-16T18:34:37 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 2.3492 | unknown | 0.04492 | null | null | null | null | null | CO_1183362004003542331272346 | 11833620040035423312723462163707278573010659167751493259665425293679625382065236808972835045362838230936912118001237982609586229173548044597938148920426830 | 9995826192838434261475081037476545008309262252674454977446358117005778937020832523265337257207690840203443672770905802285707516202563832453474451544508814 | [
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[
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4.38959868,
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[
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0.02552035,
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] | [
[
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0.00388453,
2.05091092
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[
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[
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[
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[
2.53132538,
1.49140145,
6.49800375
],
[
2.52815273,
1.5044874... | [
true,
true,
true
] | AlGa10InO18 | AlGa10InO18 | A18B10CD | [
"Al",
"Ga",
"In",
"O"
] | [
0.03333333333333333,
0.3333333333333333,
0.03333333333333333,
0.6
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49,
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8,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 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_4782525443831666216572118 | 4782525443831666216572118636315589455837356297043792650304999283580225678567913373297795368756151882184023397277515408813602170943676778930063377688862242 | 2025-04-16T18:43:09 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 2.0056 | unknown | 0.10292 | null | null | null | null | null | CO_2303074118675789928131802 | 2303074118675789928131802951844921162396824827355015745258017588818740807140278440231455156169573511491874080352196388467580465282673588396707494687849953 | 12600667291548010936534219907491737902187622864856597866246142773598964228925728837276157498875702260714277143714664521055398070273831493368163590629806634 | [
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[
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9.67449627,
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],
[
0.10316932,
0.05627171,
9.62558476
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] | [
[
7.23868716,
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[
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7.02520838
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[
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2.31968373
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[
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7.34163995,
7.05651061
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[
2.390912,
7.40115781,
2.34056519
],
[
7.23757395,
2.54090343,
... | [
true,
true,
true
] | Al16In16O48 | AlInO3 | A3BC | [
"Al",
"In",
"O"
] | [
0.2,
0.2,
0.6
] | [
13,
13,
13,
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8,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
... | 80 | 3 | 3 | [
1,
1,
1
] | [
"sg-206"
] | null | data/MD/0818/MD_8971123915224790780050818.json | null | null | null | {"input": {"band-gap": {"value": "tight"}}, "hash": "897112391522479078005081825423581428423727767536302739485007213427119013770078192004135667245475481965910082775139972640517966207403207876612736112382606", "id": "MD_8971123915224790780050818"} |
PO_4778335069106310812047479 | 4778335069106310812047479602124054576401510880872704097003193047511202847189939118519770117728029837148455167246475268590442545066899925904521428902558563 | 2025-04-16T17:10:24 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 4.3868 | unknown | 0.01836 | null | null | null | null | null | CO_3151880243461181327705490 | 3151880243461181327705490660934195937572915909360412454181720598477567858598729950997573096793347549705972719060583932327540003795109201858695407341927440 | 233817116591056402024610931276759443098951021244715461107859580660825281721911102921401816142264218477151155623490264530662307813698112581195871218265096 | [
[
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[
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4.21266554,
0.00328135
],
[
0.01009844,
0.00097349,
13.27154281
]
] | [
[
0.00159049,
0.00017637,
1.92012564
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[
0.00671655,
0.00024706,
8.61085773
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[
0.00852186,
0.00080826,
11.34376305
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[
0.00332446,
0.00069671,
4.58669353
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[
2.43694739,
1.41532287,
6.27910254
],
[
2.44218801,
1.41557965,
... | [
true,
true,
true
] | Al9Ga3O18 | Al3GaO6 | A6B3C | [
"Al",
"Ga",
"O"
] | [
0.3,
0.1,
0.6
] | [
13,
31,
13,
13,
31,
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13,
13,
13,
13,
31,
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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_4781851523887269331978054 | 4781851523887269331978054098878036277218346857157779441708769375572128226509635644027653461226678392183438214877026979806102113386917214147658329359021595 | 2025-04-16T18:13:40 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 2.7888 | unknown | 0.0508 | null | null | null | null | null | CO_8856169348937791429508082 | 8856169348937791429508082077696516232968649305721477081517995131121180192333537941009983184756948570205718789799456353757123460061901998807606904613884542 | 5841275890601919972687673675368951786432629213782478680292854310896616998793673445925324869846719854277507159273419919760313624520066130719976550628147593 | [
[
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[
5.06050444,
2.74764451,
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],
[
-0.6741521,
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14.22336551
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] | [
[
9.14991498,
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13.56150844
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[
6.6449047,
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0.13226242
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[
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2.01451656
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[
4.33588614,
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2.0944217
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[
4.06479886,
0.13663902,
4.89527331
],
[
1.82308943,
-0.37680089,
... | [
true,
true,
true
] | Al9Ga7O24 | Al9Ga7O24 | A24B9C7 | [
"Al",
"Ga",
"O"
] | [
0.225,
0.175,
0.6
] | [
13,
13,
13,
31,
31,
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13,
31,
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31,
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31,
13,
13,
8,
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
] | 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_1070237560517283219122892 | 10702375605172832191228924095464339952200447953986469589841871374931254099218890767110724605670136369763220575923119880520872789226848375050208643385710173 | 2025-04-17T17:56:16 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.3565 | unknown | 0.09744 | null | null | null | null | null | CO_4163995600451035992478663 | 4163995600451035992478663200546504528938444761227354600016968579990306741227656976752364158061582655137532619557570189857817296701622986678711492219879384 | 10682704499408794926863817787428604106412170196200156693730286812726724783642755462892975890363974507669900861294181941477861690140842969711383299858050823 | [
[
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[
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9.82238787,
0.01270135
],
[
0.03935073,
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9.7911957
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] | [
[
7.27095605,
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[
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7.17708886
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[
7.25714455,
7.24178381,
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[
7.50800649,
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7.43648682
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[
2.4450821,
7.28246064,
2.55833764
],
[
7.34596548,
2.52881558,
... | [
true,
true,
true
] | Al13In19O48 | Al13In19O48 | A48B19C13 | [
"Al",
"In",
"O"
] | [
0.1625,
0.2375,
0.6
] | [
49,
49,
49,
13,
49,
49,
49,
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49,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
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_1069363577900126000492619 | 10693635779001260004926196753753321447265446667444557979362968349201276424707223153055370588719735867166679555845613135397941700318850041674109925774564597 | 2025-04-16T20:58:52 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.9547 | unknown | 0.02436 | null | null | null | null | null | CO_1199905363097861262487145 | 11999053630978612624871454345982877804209672723372144871883809654638443620357607075210411614899125885129930609659139532165362341502397347098266905886233991 | 13075660873373690548734810559071044700695598712157820819839394353638983356507849242101083531201606940176998222594780750584721126947615572332617627893377430 | [
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[
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[
-0.019185,
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9.489373
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] | [
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0.959657,
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[
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2.973889,
4.73743
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[
1.629213,
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[
3.55503,
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[
3.534825,
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],
[
1.667261,
7.489554,
2.679689
],
[
4.194644,
... | [
true,
true,
true
] | Ga15InO24 | Ga15InO24 | A24B15C | [
"Ga",
"In",
"O"
] | [
0.375,
0.025,
0.6
] | [
31,
31,
31,
31,
31,
31,
31,
49,
31,
31,
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8
] | 40 | 3 | 3 | [
1,
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PO_1069236382216587657494541 | 1069236382216587657494541727636092492733580245667353116850960949658017744259985323839019717870748013116230003490664631607148551339731363566513289888497371 | 2025-04-16T16:25:26 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 2.1433 | unknown | 0.033 | null | null | null | null | null | CO_1158591992974103698386223 | 11585919929741036983862233512601249317302855883753638192768801908202127525145934626419053426520525993707010588334589772437561460064948994554442193134746335 | 8689997876838216809422196599252896339953638207419371251093836735351071239402011308891683166845879800452065573451578307044895341745706556371758990709848233 | [
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[
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[
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3.132890... | [
true,
true,
true
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"Al",
"Ga",
"In",
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0.15,
0.15,
0.1,
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1,
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PO_1069960030211276975838199 | 10699600302112769758381990131388851584070935176500600731709365318229308919080295794133006524160594236986422143347500333337051732832345172204988976208312914 | 2025-04-17T17:45:49 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 2.783 | unknown | 0.06044 | null | null | null | null | null | CO_7857567533959771995885288 | 7857567533959771995885288980200823415464028987073395627492427703143495381747618068543497745463610148332575922687346979547570866801122452655929402621417405 | 11978268369639877273004057677884263242269374739016283323326606140152950199369198622905348037851453342159059227455606404809157198328187155118176365046131559 | [
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[
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[
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... | [
true,
true,
true
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0.1,
0.6
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[
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... | [
true,
true,
true
] | Al2GaIn29O48 | Al2GaIn29O48 | A48B29C2D | [
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[
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... | [
true,
true,
true
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[
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... | [
true,
true,
true
] | Al10Ga4In2O24 | Al5Ga2InO12 | A12B5C2D | [
"Al",
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"In",
"O"
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0.25,
0.1,
0.05,
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8,
8,
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8,
8,
8,
8
] | 40 | 4 | 3 | [
1,
1,
1
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"sg-227"
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[
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[
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2.... | [
true,
true,
true
] | Al9Ga23O48 | Al9Ga23O48 | A48B23C9 | [
"Al",
"Ga",
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0.1125,
0.2875,
0.6
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8,
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1,
1
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[
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[
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true,
true,
true
] | Al12Ga12In8O48 | Al3Ga3In2O12 | A12B3C3D2 | [
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5.56225423
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[
1.03877554,
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... | [
true,
true,
true
] | Ga3In13O24 | Ga3In13O24 | A24B13C3 | [
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0.325,
0.6
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31,
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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_4514970473230678180318670 | 4514970473230678180318670764987323943420594975276041432317360235823051715779356057095560145720827882047432543363341712020680675178972077238184131478326359 | 2025-04-16T19:00:55 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 2.6605 | unknown | 0.07676 | null | null | null | null | null | CO_7384729624615314194864314 | 7384729624615314194864314685290693132011858246807054680681224327389781274034574156817417471282442962482890536140285055139200130470323697115757357043053548 | 7279501551713151170338655276251137121989186039312199270020884698598500574286888095898542346300597080291155450836031900184341586456802490058696611153837191 | [
[
9.36106893,
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[
0.0544381,
9.35824182,
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],
[
0.04142677,
0.02435167,
9.39825539
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[
6.9607001,
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[
2.43847728,
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[
7.1094091,
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[
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[
2.4351367,
7.04387921,
2.3191106
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[
7.03889161,
2.29142335,
2.... | [
true,
true,
true
] | Al16Ga10In6O48 | Al8Ga5In3O24 | A24B8C5D3 | [
"Al",
"Ga",
"In",
"O"
] | [
0.2,
0.125,
0.075,
0.6
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13,
49,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
... | 80 | 4 | 3 | [
1,
1,
1
] | [
"sg-206"
] | null | data/MD/0818/MD_8971123915224790780050818.json | null | null | null | {"input": {"band-gap": {"value": "tight"}}, "hash": "897112391522479078005081825423581428423727767536302739485007213427119013770078192004135667245475481965910082775139972640517966207403207876612736112382606", "id": "MD_8971123915224790780050818"} |
PO_4956768471296446545985627 | 4956768471296446545985627761635967413105818719330665299484743446709417922320029499909558581264355377913850403082881961750982844998749809740226384142719388 | 2025-04-16T21:22:14 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.532 | unknown | 0.12152 | null | null | null | null | null | CO_2892408370005090503462537 | 2892408370005090503462537071222640091569805668387110380854245986461130985085727793889468979088973995657279131042374294853406858344227107382233288268771222 | 3232278200923728234493874064868303093020352365403970517461626891014450827216223831069098468461261381304596386983040265921749505838609934810744030139280936 | [
[
22.3939525,
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1.10212144
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[
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6.35841598,
0.48332443
],
[
-2.4478898,
0.23588838,
6.47766142
]
] | [
[
9.25945053,
0.30371308,
1.64710096
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[
9.30353878,
3.5536431,
1.63467128
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[
20.53219647,
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2.34467157
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[
20.47185831,
3.25466898,
2.54503026
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[
-0.67027885,
0.53332109,
5.92536993
],
[
-0.44264418,
3.97864782... | [
true,
true,
true
] | Al20In12O48 | Al5In3O12 | A12B5C3 | [
"Al",
"In",
"O"
] | [
0.25,
0.15,
0.6
] | [
49,
13,
49,
49,
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49,
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49,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
... | 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_4789673328918338307351263 | 4789673328918338307351263105445716262218462920753028148801496104160561427314700883770724180500105177101651855745523157450778338156947280199017917700538316 | 2025-04-16T16:56:48 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 2.1107 | unknown | 0.0936 | null | null | null | null | null | CO_5002725964285603526443388 | 5002725964285603526443388324958456571398880572914636319126665393273275347525665834567763348640258694947167810347594728651493664603358653542738337271143119 | 11373864096092405258510969465054387178133500036382518504742937725188493861632798428877296906231333938615393444496484303030346432130386626457654170409719457 | [
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[
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],
[
0.09174223,
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] | [
[
1.64889788,
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[
6.65745051,
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[
3.62705132,
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2.03051575
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[
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2.2437887
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[
0.9282831,
3.17281528,
1.98436975
],
[
6.01357043,
3.01794702,
2.... | [
true,
true,
true
] | Al18In14O48 | Al9In7O24 | A24B9C7 | [
"Al",
"In",
"O"
] | [
0.225,
0.175,
0.6
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49,
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8,
8,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
... | 80 | 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_4797328510382229629451205 | 4797328510382229629451205560015741716416419790658680289812201827466338714992841546446999145603517632225377272038909426150230163995761812716622089893213768 | 2025-04-16T17:08:25 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.2793 | unknown | 0.09344 | null | null | null | null | null | CO_4850070812144174725200287 | 485007081214417472520028701290635948867299652202768515071961587218887965645819756999658635346122083492573127008647482411682363339651961462012271415787709 | 7072694972353371535583099621703813856280017074213010365179529392778365544723835402216374631293012662793285850407079000336207136153909262108525375867439890 | [
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[
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[
-0.0751493,
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] | [
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1.60226728,
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[
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6.35979423
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[
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[
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1.51975549
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[
1.10658901,
3.33347267,
1.79230185
],
[
6.29889862,
3.31072657,
... | [
true,
true,
true
] | Al6Ga11In15O48 | Al6Ga11In15O48 | A48B15C11D6 | [
"Al",
"Ga",
"In",
"O"
] | [
0.075,
0.1375,
0.1875,
0.6
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
... | 80 | 4 | 3 | [
1,
1,
1
] | [
"sg-33"
] | null | data/MD/0818/MD_8971123915224790780050818.json | null | null | null | {"input": {"band-gap": {"value": "tight"}}, "hash": "897112391522479078005081825423581428423727767536302739485007213427119013770078192004135667245475481965910082775139972640517966207403207876612736112382606", "id": "MD_8971123915224790780050818"} |
PO_4795017232647956304318592 | 4795017232647956304318592388993655492689585199316071786831430131327894500342474963540892416197698395400779121405653243309505941633706270465802406272941003 | 2025-04-16T18:14:38 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 4.8312 | unknown | 0.01692 | null | null | null | null | null | CO_4488895687843925419694847 | 4488895687843925419694847198976555842866961812536574661971158093022343650261718161604496849993371622374923149469372580557410438513452599715481348626816654 | 13195634198368362364423558268251182657231508703406840197478837543334403570341230764114623935636943417344977797022217767952342706899601695393694344639771887 | [
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[
0.028117,
8.40175,
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[
0.020087,
0.002921,
9.0342
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] | [
[
0.918293,
5.543471,
0.03567
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[
4.007389,
2.843436,
4.547198
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[
1.558331,
1.34204,
4.553152
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[
3.367585,
7.044993,
0.029592
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[
3.373466,
1.281553,
7.065559
],
[
1.563691,
7.106376,
2.549383
],
[
4.002379,
... | [
true,
true,
true
] | Al16O24 | Al2O3 | A3B2 | [
"Al",
"O"
] | [
0.4,
0.6
] | [
13,
13,
13,
13,
13,
13,
13,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 40 | 2 | 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_4796001845804090572046716 | 4796001845804090572046716094097906061793632995359832873531072857605873380879743477074568501042955767716118340955355511974016796199365506593669495057577688 | 2025-04-16T20:03:00 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.26 | unknown | 0.02716 | null | null | null | null | null | CO_3195092208270247570260948 | 3195092208270247570260948713626571959644497981498187052442680277490376569802310942878779259377907909706810047860527512203572615979064570347979241562589702 | 5150466837628764584274873599657031233518764058923404620303241607279081439887185725208765441729371818219191902276373603179231138441091080468446972364732488 | [
[
26.38465354,
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[
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6.56056071,
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],
[
-1.26986716,
0.00142734,
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] | [
[
11.76655493,
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[
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[
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[
24.94684601,
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1.30912214
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[
0.10286824,
-0.0823278,
4.67651173
],
[
0.10097603,
3.243932... | [
true,
true,
true
] | Ga15In17O48 | Ga15In17O48 | A48B17C15 | [
"Ga",
"In",
"O"
] | [
0.1875,
0.2125,
0.6
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31,
31,
31,
31,
31,
31,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
... | 80 | 3 | 3 | [
1,
1,
1
] | [
"sg-12"
] | null | data/MD/0818/MD_8971123915224790780050818.json | null | null | null | {"input": {"band-gap": {"value": "tight"}}, "hash": "897112391522479078005081825423581428423727767536302739485007213427119013770078192004135667245475481965910082775139972640517966207403207876612736112382606", "id": "MD_8971123915224790780050818"} |
PO_4508662417220353378266948 | 4508662417220353378266948043431891500035566457068950173193086945079246739808858064182787895067425423381994701649194912659029613288601236115117213011884149 | 2025-04-16T16:31:33 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.721 | unknown | 0.08984 | null | null | null | null | null | CO_9148859475167412582375511 | 9148859475167412582375511634069032502668498951383931169553193019927254128013597998731739594134580958514955667642656863038959841214842575514020830373444121 | 4426641202487305136595814003197814382061652226053914380222959893302636224014391690395353453711911748122439213403428566358266094153252234941570163591226671 | [
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25.17170857,
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0.18049189
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[
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6.28648763,
0.02650187
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[
-1.29606881,
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5.784704
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] | [
[
11.12105725,
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1.26467177
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[
11.10564881,
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[
23.93013007,
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1.16170824
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[
23.88159116,
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1.19599953
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[
0.13152919,
0.0152471,
4.66886457
],
[
0.13195265,
3.05186399,... | [
true,
true,
true
] | Al14Ga8In10O48 | Al7Ga4In5O24 | A24B7C5D4 | [
"Al",
"Ga",
"In",
"O"
] | [
0.175,
0.1,
0.125,
0.6
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
... | 80 | 4 | 3 | [
1,
1,
1
] | [
"sg-12"
] | null | data/MD/0818/MD_8971123915224790780050818.json | null | null | null | {"input": {"band-gap": {"value": "tight"}}, "hash": "897112391522479078005081825423581428423727767536302739485007213427119013770078192004135667245475481965910082775139972640517966207403207876612736112382606", "id": "MD_8971123915224790780050818"} |
PO_4499866823954040020841743 | 4499866823954040020841743695033560121641171749415397271174167235641909588497610082114971253551220809576497839832956154611657284704292899679627544722536502 | 2025-04-16T19:57:47 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.6068 | unknown | 0.09368 | null | null | null | null | null | CO_8362581288722697997386034 | 8362581288722697997386034920018275301500484499630922585509419433694949602559305995657997011856462521994747785862446384007186791122979478308997080113868234 | 10848117980061167961564939155350693272096595636395110592247998386038583382118976100483131838546618855074331967828508612618042147870005226408001336548139334 | [
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[
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8.94017651,
0.03625249
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[
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9.84312537
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1.69818044,
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[
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[
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[
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[
0.91780471,
3.39841874,
2.01241217
],
[
6.09808436,
3.11817863,
1... | [
true,
true,
true
] | Al9Ga10In13O48 | Al9Ga10In13O48 | A48B13C10D9 | [
"Al",
"Ga",
"In",
"O"
] | [
0.1125,
0.125,
0.1625,
0.6
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31,
31,
49,
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,
... | 80 | 4 | 3 | [
1,
1,
1
] | [
"sg-33"
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PO_1072457877491587401016986 | 10724578774915874010169862235821371867536420290459943917151172971940455059190459714341007028780756360036092394125062882889800448042281481186980573881580554 | 2025-04-16T18:16:02 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.6991 | unknown | 0.03136 | null | null | null | null | null | CO_4310523274638118248379606 | 4310523274638118248379606616447087934793047967193438304745234669186165983698947898611646002779583505716360875794890715425189614098200464048501297991740058 | 11526529268027480598074756546019012214685543551743003502468045479714796540158992786529222028153915648758859333783032301243871934615007776627575885303065469 | [
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0.061032,
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0.015892
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[
0.004521,
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9.61541
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1.738544,
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6.674233
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[
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3.547384,
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[
6.180784,
3.033167,
1.832144
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[
4.353816,
... | [
true,
true,
true
] | Ga26In6O48 | Ga13In3O24 | A24B13C3 | [
"Ga",
"In",
"O"
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0.325,
0.075,
0.6
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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_1072459664027023783672627 | 10724596640270237836726277935906761680445681554862508725548042752852754024714051695084201297469810804826035893370891520768436596307741276108535876545666121 | 2025-04-16T16:46:17 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 2.3982 | unknown | 0.0754 | null | null | null | null | null | CO_3750228210139446875944674 | 375022821013944687594467468650308524629931681458803145415171570300862386768559338706211452349271349654512276941152383079588257769130689715671095463479560 | 4443035235090227220081613201285832611969030566146891706194643967970063485575066993066543711917167106063310003397102734208714582192629863028049587529846035 | [
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[
0.04233894,
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[
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[
2.26064568,
6.99938144,
2.39112487
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[
7.15223867,
2.29933275,
... | [
true,
true,
true
] | Al13Ga12In7O48 | Al13Ga12In7O48 | A48B13C12D7 | [
"Al",
"Ga",
"In",
"O"
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0.1625,
0.15,
0.0875,
0.6
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8,
8,
8,
8,
8,
... | 80 | 4 | 3 | [
1,
1,
1
] | [
"sg-206"
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PO_1070201930853990906432658 | 10702019308539909064326588589925848212506477741779000059241556881507185009495177067055426177559907637823011242517420389611966088083600413326100996034007155 | 2025-04-16T21:21:56 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 3.5451 | unknown | 0.04272 | null | null | null | null | null | CO_8205567081443021737949300 | 820556708144302173794930045839946078203798479309654140535878705483510058881413260927237523321034770621241633004174171994337183609281876193726643592646493 | 721156641894703587860679634542240712823694272760002901074457354827726194797520295191207695628143660872347686187117717905663995419617207717830700693053343 | [
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[
0.02655866,
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[
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2.26248593,
6.89353301,
2.29195319
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[
6.87101704,
2.29909909,
... | [
true,
true,
true
] | Al18Ga14O48 | Al9Ga7O24 | A24B9C7 | [
"Al",
"Ga",
"O"
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0.225,
0.175,
0.6
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8,
8,
8,
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... | 80 | 3 | 3 | [
1,
1,
1
] | [
"sg-206"
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[
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[
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18.78663943
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[
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18.69717463
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[
3.47424053,
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6.14610143
],
[
3.42944282,
-0.045349... | [
true,
true,
true
] | Ga5In27O48 | Ga5In27O48 | A48B27C5 | [
"Ga",
"In",
"O"
] | [
0.0625,
0.3375,
0.6
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49,
49,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
... | 80 | 3 | 3 | [
1,
1,
1
] | [
"sg-194"
] | null | data/MD/0818/MD_8971123915224790780050818.json | null | null | null | {"input": {"band-gap": {"value": "tight"}}, "hash": "897112391522479078005081825423581428423727767536302739485007213427119013770078192004135667245475481965910082775139972640517966207403207876612736112382606", "id": "MD_8971123915224790780050818"} |
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[
0.03155243,
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[
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[
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[
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[
2.27263207,
6.90022476,
2.31568593
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[
6.89178584,
2.31988456,
... | [
true,
true,
true
] | Al18Ga14O48 | Al9Ga7O24 | A24B9C7 | [
"Al",
"Ga",
"O"
] | [
0.225,
0.175,
0.6
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31,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
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_5023734010271924898492267 | 5023734010271924898492267308453930455694281157868199246937693263825206637539697218503906512503374507402881711894472671033884160246150224806879762295153065 | 2025-04-16T15:09:28 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.6363 | unknown | 0.08664 | null | null | null | null | null | CO_1797446551939416327724694 | 1797446551939416327724694496960112990741627978388448624406443731404853089634344721068399045552258698428163046970895273947573551711999420221611350210291712 | 7063060518002179065954171263553459760358755309314823901392671971498993462830831621923653674728207506016251409149160110808794997605686786584182390606544433 | [
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[
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2.19969592
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[
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9.28142422
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[
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0.11520293,
12.19323377
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[
5.10558779,
0.29911795... | [
true,
true,
true
] | Al8In16O36 | Al2In4O9 | A9B4C2 | [
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"In",
"O"
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0.13333333333333333,
0.26666666666666666,
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,... | 60 | 3 | 3 | [
1,
1,
1
] | [
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[
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6.44976853,
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[
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[
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[
0.21944816,
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4.76042183
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[
0.22707819,
3.187273... | [
true,
true,
true
] | Al3Ga16In13O48 | Al3Ga16In13O48 | A48B16C13D3 | [
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"Ga",
"In",
"O"
] | [
0.0375,
0.2,
0.1625,
0.6
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8,
8,
8,
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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_5018113403016306444102632 | 5018113403016306444102632749794324901833929273008621510630151223840127836139810655970669885789968402949690160747118449612685847770205450297993375162441035 | 2025-04-16T20:10:30 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 3.5951 | unknown | 0.04192 | null | null | null | null | null | CO_2464719339519571495537594 | 2464719339519571495537594518609788073300569939405620369474037547568202246906500029385039666691125691459979678727422906828309153058892174915474928416817516 | 7720946294094706661831186873875100928131344660228722836677391009552813021457162340047602107660861924722089788653115038077748846397316235007395272859403356 | [
[
9.15739547,
0.03927761,
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[
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9.15491734,
0.03765989
],
[
0.01221042,
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9.16443684
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] | [
[
6.84492283,
2.33801359,
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[
2.26769037,
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[
6.86959296,
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[
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[
2.26865715,
6.8596607,
2.31876557
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[
6.87095762,
2.32910932,
... | [
true,
true,
true
] | Al19Ga13O48 | Al19Ga13O48 | A48B19C13 | [
"Al",
"Ga",
"O"
] | [
0.2375,
0.1625,
0.6
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31,
13,
13,
31,
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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_5018276809255672337911784 | 5018276809255672337911784893817708104292068681795155192147776332233794817629104952429300598468934477193448150154661288884239585088029027582613702880828300 | 2025-04-16T16:24:36 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 0.7954 | unknown | 0.08916 | null | null | null | null | null | CO_4720106862891360512828824 | 4720106862891360512828824926889988135009724236988309499198338405168280079078683206499755275191652732072607794563953164903551383580203383788217378769121342 | 738352539649100782267746581404872652287461330992206194280359068470206561773733687031218327816024331721753988838630587105601186728686556151337173272304460 | [
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11.25876737,
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[
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0.07030144
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[
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10.09936637
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] | [
[
1.62028153,
8.16366755,
6.8343317
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[
7.41682929,
8.16149149,
6.99817993
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[
3.84853004,
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[
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[
1.04991539,
3.36254213,
1.82994239
],
[
6.73538034,
3.38146204,
... | [
true,
true,
true
] | Al2GaIn29O48 | Al2GaIn29O48 | A48B29C2D | [
"Al",
"Ga",
"In",
"O"
] | [
0.025,
0.0125,
0.3625,
0.6
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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-33"
] | null | data/MD/0818/MD_8971123915224790780050818.json | null | null | null | {"input": {"band-gap": {"value": "tight"}}, "hash": "897112391522479078005081825423581428423727767536302739485007213427119013770078192004135667245475481965910082775139972640517966207403207876612736112382606", "id": "MD_8971123915224790780050818"} |
PO_5010969045359497742458237 | 5010969045359497742458237244605410248168697599694910507096765969693545817021229920786208708903696970040256830277763199889768081860671173262284771956647048 | 2025-04-16T20:58:52 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.3027 | unknown | 0.05132 | null | null | null | null | null | CO_1280381154939227119169996 | 12803811549392271191699962941926706645665794318170731492071208926135805435022521576163974249757727921824103978014543126103961617676400522878175926291083038 | 12227942715008621886729677715259323510555380928457681929570963032895624311846430377467124295680828211915146253304804631799287565224086895888279167280739435 | [
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[
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] | [
[
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[
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[
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[
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[
2.39303724,
7.41845032,
2.58563581
],
[
7.37206012,
2.42101328,
... | [
true,
true,
true
] | Ga17In15O48 | Ga17In15O48 | A48B17C15 | [
"Ga",
"In",
"O"
] | [
0.2125,
0.1875,
0.6
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31,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
... | 80 | 3 | 3 | [
1,
1,
1
] | [
"sg-206"
] | null | data/MD/0818/MD_8971123915224790780050818.json | null | null | null | {"input": {"band-gap": {"value": "tight"}}, "hash": "897112391522479078005081825423581428423727767536302739485007213427119013770078192004135667245475481965910082775139972640517966207403207876612736112382606", "id": "MD_8971123915224790780050818"} |
PO_5007397364592727848016938 | 5007397364592727848016938771196709112131035822209072468146330652531323666128558039490177005850432451766087733419331092840755018497663975557859824171533995 | 2025-04-16T18:02:06 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.6845 | unknown | 0.05664 | null | null | null | null | null | CO_1088393818179255250553099 | 10883938181792552505530993714872288387283075066958203977827148444767080697178170086174449046503066542098322941863617561416320855428539444523173141906293598 | 4790900689215863123462299459736336336502263700713293552312645368421351064546817796032641435855007585142379339390677603941710122649002334537211244076224953 | [
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[
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4.56688318,
0.00363305
],
[
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14.02772864
]
] | [
[
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2.0706078
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[
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[
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[
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5.00029183
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[
2.62038706,
1.46019917,
6.69855034
],
[
2.60436542,
1.4478... | [
true,
true,
true
] | Ga8In4O18 | Ga4In2O9 | A9B4C2 | [
"Ga",
"In",
"O"
] | [
0.26666666666666666,
0.13333333333333333,
0.6
] | [
31,
31,
31,
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31,
31,
31,
31,
49,
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8,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 30 | 3 | 3 | [
1,
1,
1
] | [
"sg-167"
] | null | data/MD/0818/MD_8971123915224790780050818.json | null | null | null | {"input": {"band-gap": {"value": "tight"}}, "hash": "897112391522479078005081825423581428423727767536302739485007213427119013770078192004135667245475481965910082775139972640517966207403207876612736112382606", "id": "MD_8971123915224790780050818"} |
PO_5026780737506896884977485 | 5026780737506896884977485378015397146137896052418496205395649571370311460844391937234195322389789466767672512908629536058037330147713302256394853680042055 | 2025-04-16T21:28:46 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 0.6863 | unknown | 0.127 | null | null | null | null | null | CO_8330372921228955247006894 | 8330372921228955247006894440797772985852561639308844946071910567166450099492351907427820942244396647768652345966495400696645320104848121888803333153854482 | 3766857319096302869517855774627275554171821727684662661353876768295055999519009966217988665821016206721226076985517363076090446225292221813174971555699956 | [
[
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[
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5.25488266,
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],
[
0.41516481,
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15.03429149
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] | [
[
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0.05943025,
2.00183935
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[
0.10622967,
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13.17232437
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[
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5.60089259,
3.91022446
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[
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2.20276995,
5.1771748
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[
2.34364793,
3.9871387,
5.09502651
],
[
1.99337893,
0.510458,
... | [
true,
true,
true
] | Al2Ga9In5O24 | Al2Ga9In5O24 | A24B9C5D2 | [
"Al",
"Ga",
"In",
"O"
] | [
0.05,
0.225,
0.125,
0.6
] | [
13,
49,
49,
49,
49,
31,
31,
31,
31,
13,
31,
31,
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_5028423680620222973129722 | 5028423680620222973129722837186543316274879261449907097354855731207029544383801795094212361342995654470834114564319527298475429275687637060102327318832146 | 2025-04-17T18:37:27 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.2731 | unknown | 0.12872 | null | null | null | null | null | CO_4306967666975785427550987 | 4306967666975785427550987306180560924189384414547166297913795424709677215525142305191971954086032057304078126881278166666634018514433057428627098075521349 | 4704355541527886262895876367431983868383393572330679589486622540350955025335468795793144348239478425717570627598093262898462446060623609528443803748817980 | [
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[
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5.2980305,
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],
[
-0.1703918,
0.11674841,
14.78619336
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] | [
[
4.25456529,
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2.38702207
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[
3.8556756,
2.97856027,
1.50467534
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[
0.9691766,
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2.2690478
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[
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11.96998603
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[
-1.34329461,
4.64579708,
12.37293209
],
[
0.07711172,
2.04729456,
... | [
true,
true,
true
] | Al4Ga8In4O24 | AlGa2InO6 | A6B2CD | [
"Al",
"Ga",
"In",
"O"
] | [
0.1,
0.2,
0.1,
0.6
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49,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
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_5008292253676995751111556 | 5008292253676995751111556657666994093025856362783468039742819292283402220194681652240537640615951097827307427584351230464254431662536125134169963014397295 | 2025-04-16T17:25:54 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 2.1608 | unknown | 0.1026 | null | null | null | null | null | CO_9442429944118305304480763 | 944242994411830530448076388334413412742087760938188139050104691543879558257845651473619140295927523512090039704068139330892806688032072649002169569786313 | 12025101163903096617153605749850418175322614739139768776347181788877393303207116102007096309857043694824172962012686371246814847781409792834816046602001425 | [
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[
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4.51804896,
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[
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13.89356876
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] | [
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1.77010504
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[
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8.8920661
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[
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11.8776359
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[
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4.89663632
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[
2.5944828,
1.54469381,
6.71786685
],
[
2.58121228,
1.56468336,
... | [
true,
true,
true
] | Al5GaIn6O18 | Al5GaIn6O18 | A18B6C5D | [
"Al",
"Ga",
"In",
"O"
] | [
0.16666666666666666,
0.03333333333333333,
0.2,
0.6
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49,
49,
13,
13,
13,
31,
49,
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49,
49,
49,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
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_5004507407857384116556841 | 5004507407857384116556841621815056713181163360261248439872927834432216055933087286582319404789156442350089461253098998452460175718736474676401763889966456 | 2025-04-16T15:45:48 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.2023 | unknown | 0.03596 | null | null | null | null | null | CO_2880519125406344045285954 | 2880519125406344045285954878276988007854870045336948886316764551518878150819020184719346973224175925070096391121945073950561920718934129038511515648655855 | 8726012852505141173290137866970494343779424146686653122331943926561614726678640442607918822679501760638500718946420179356017369680642743048677981516766769 | [
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[
0.091012,
9.201209,
0.091711
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[
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0.036478,
9.989926
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] | [
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1.909438,
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[
7.402869,
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7.075393
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[
3.62719,
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1.964521
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[
9.139366,
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[
0.884223,
3.156884,
1.955049
],
[
6.403765,
3.079289,
2.07615
],
[
4.638398,
... | [
true,
true,
true
] | Ga14In18O48 | Ga7In9O24 | A24B9C7 | [
"Ga",
"In",
"O"
] | [
0.175,
0.225,
0.6
] | [
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31,
31,
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,
8,
... | 80 | 3 | 3 | [
1,
1,
1
] | [
"sg-33"
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PO_5004937208632921518584785 | 5004937208632921518584785075161843282214905141736456006400724467688755846663289904544684371200085768451726806127826778034517979778011874473361782738378734 | 2025-04-16T17:45:43 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 2.7529 | unknown | 0.07696 | null | null | null | null | null | CO_2331653234866491259633475 | 233165323486649125963347509178592558197775720804303589184605386993867839342667195224109901957155246708992841792391053771316007916638312976063838486994184 | 7065244425205596212564925011378187569330267337003872228428294134438784567334069302929846047160236924526731142959975757897209784485062015468640650460474263 | [
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[
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2... | [
true,
true,
true
] | Al17Ga10In5O48 | Al17Ga10In5O48 | A48B17C10D5 | [
"Al",
"Ga",
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"O"
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0.2125,
0.125,
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1,
1
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PO_5015036319399962379902462 | 5015036319399962379902462394476563185046390832576025867508396398132458312396295001252973126416756407909561590936890242846522678585016268436098860591315573 | 2025-04-16T17:20:39 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.3113 | unknown | 0.02376 | null | null | null | null | null | CO_7424902565501426399704423 | 7424902565501426399704423129586150406361391199438051097179719919524910597724307753484028215244354484535845120514936959240010240044864357065855826671017889 | 176157468899069958640071778538359244398047789571666468709519736176634386656556260295315562131349825714352345961919726610683801055629572211719711941596883 | [
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[
13.20118... | [
true,
true,
true
] | Ga19In13O48 | Ga19In13O48 | A48B19C13 | [
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"In",
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0.1625,
0.6
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8,
... | 80 | 3 | 3 | [
1,
1,
1
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"sg-12"
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PO_5013110907283753398900818 | 5013110907283753398900818024306632836231277850627202069614741290779897925833099943282516397313626321729123564584388490400639664226556647857151522959787932 | 2025-04-16T18:44:03 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.2886 | unknown | 0.154 | null | null | null | null | null | CO_4166143277398943271630494 | 4166143277398943271630494305730452045079276143670231935079138501381430117691589496616416181521375195070765481615078018030889107029529116135397852066339416 | 8913175513258109108011920812173824776786759756440087268230376352875286879361135290456354883954961290572866963084721875546381111448635835907621571087307911 | [
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[
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[
3.4604892,
0.04808693,... | [
true,
true,
true
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"Al",
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"In",
"O"
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0.1625,
0.05,
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0.6
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8,
8,
8,
8,
... | 80 | 4 | 3 | [
1,
1,
1
] | [
"sg-194"
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PO_1073415469801080133238902 | 10734154698010801332389029034739311859614761552862226085549121588066663910496436785647215895138678875008821856944830122535022821898738110288154688907396417 | 2025-04-16T17:10:53 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.74 | unknown | 0.09204 | null | null | null | null | null | CO_1837572728342030164431389 | 1837572728342030164431389772380294080210918279452972513426239475462012134498285675983270298030702262831826771602525840716468026755794138706909715205756804 | 12454882047853028933321762463121758291611161050557992745596882683830534851497634414691360306067774444272741722347161493396412561488458680908708426071813633 | [
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[
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[
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... | [
true,
true,
true
] | Al12Ga6In14O48 | Al6Ga3In7O24 | A24B7C6D3 | [
"Al",
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0.075,
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8,
... | 80 | 4 | 3 | [
1,
1,
1
] | [
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PO_1074534665115697982028471 | 1074534665115697982028471617111723817476532741847003129494299905272198636902218827579912926010302668628998434104969592473968024484563574668093976219870572 | 2025-04-16T16:25:12 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 2.5485 | unknown | 0.07948 | null | null | null | null | null | CO_1252516234345469037610232 | 12525162343454690376102328200448399404195554536483688840009405197608009100529356733206398114800895343257469904647435381255651022825453024823718059047042074 | 10470234817741703182935069498298693852240969997631447466574536736981713053061862248285775954981595293640161540626887174785477639671802606795140900273046 | [
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[
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[
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[
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7.11254103,
2.44470404
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[
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2.24582897,
2... | [
true,
true,
true
] | Al15Ga11In6O48 | Al15Ga11In6O48 | A48B15C11D6 | [
"Al",
"Ga",
"In",
"O"
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0.1875,
0.1375,
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PO_1027247524823815194878145 | 10272475248238151948781450531392290403729778958747130641447397238115161111267594936328057460225567969452243274967431365598434233402033629838984736441652840 | 2025-04-16T16:46:19 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 3.4281 | unknown | 0.05756 | null | null | null | null | null | CO_4552749695179999232996793 | 4552749695179999232996793061284562901196788328892124298304121590920515862291306664138673796120938133915153324790632643916389551970768801157069486270945912 | 7031339537891160578896613615501632415017930452953442890547172640896022248490084515604267452609901855740903571955738162079873863218243038962303654195759697 | [
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[
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[
2.47298553,
1.46038319,
6.4581745
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[
2.46768084,
1.47197593,... | [
true,
true,
true
] | Al8Ga2In2O18 | Al4GaInO9 | A9B4CD | [
"Al",
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"O"
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8,
8,
8,
8,
8,
8,
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8,
8,
8
] | 30 | 4 | 3 | [
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1,
1
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[
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[
2.34445712,
6.91935112,
2.29358016
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[
6.9388058,
2.33480258,
2... | [
true,
true,
true
] | Al13Ga19O48 | Al13Ga19O48 | A48B19C13 | [
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"Ga",
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0.1625,
0.2375,
0.6
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
... | 80 | 3 | 3 | [
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1,
1
] | [
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[
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4.35821937,
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2.08376211
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[
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... | [
true,
true,
true
] | Al6Ga5In5O24 | Al6Ga5In5O24 | A24B6C5D5 | [
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"In",
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0.15,
0.125,
0.125,
0.6
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PO_5047230412929036869368777 | 5047230412929036869368777806860176759964219203310266545466365593515902593548789128585164138753217724910856915381955604417089582257619701171189245524685080 | 2025-04-16T18:38:16 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.9715 | unknown | 0.15496 | null | null | null | null | null | CO_4716962123776568856453636 | 4716962123776568856453636244917952638267103085347233827322873167366409166723199530532908812360396639023185655442555119801765974802740939003738003831564613 | 11662551614842532792533578710813663967410380198256222520912743523512066353363786908144445372489138955111386673451580911435717588490633309597356967479104672 | [
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[
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[
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true,
true,
true
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0.075,
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PO_5052574191974774719413408 | 5052574191974774719413408404231254264029899465319285207854655956137828780396115775143664191019737716061293313142834686292479994800985269121006005225556475 | 2025-04-16T21:43:25 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 0.6623 | unknown | 0.19144 | null | null | null | null | null | CO_2111444661034910088357976 | 2111444661034910088357976157251814535181079312360503518236268300739434890519395207150580749832591410915242532765136119983830869559779117317186206420867174 | 12578360177833052103795102333122416087756337893162573153293536908934761329625402103455535693638599970603025682050408353646375597735672512656607051275975524 | [
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[
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[
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... | [
true,
true,
true
] | Al7Ga4In5O24 | Al7Ga4In5O24 | A24B7C5D4 | [
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"Ga",
"In",
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[
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[
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true,
true,
true
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"Al",
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[
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0.00610027... | [
true,
true,
true
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[
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[
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2... | [
true,
true,
true
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0.075,
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[
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[
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... | [
true,
true,
true
] | Al3Ga3In26O48 | Al3Ga3In26O48 | A48B26C3D3 | [
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[
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[
3.14778352,
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true,
true,
true
] | Al17Ga8In7O48 | Al17Ga8In7O48 | A48B17C8D7 | [
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true,
true
] | Al12Ga20O48 | Al3Ga5O12 | A12B5C3 | [
"Al",
"Ga",
"O"
] | [
0.15,
0.25,
0.6
] | [
13,
31,
31,
31,
31,
13,
31,
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31,
31,
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31,
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31,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
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_1075432825287173049041484 | 10754328252871730490414846820138813443431246382759281908553464602903734114517514631573733103160109680266840175000430562877201141443252460486999699307548053 | 2025-04-16T15:42:59 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.3375 | unknown | 0.08168 | null | null | null | null | null | CO_1174391795947188191437508 | 11743917959471881914375081457620232969516768873730501183893406248653756634730022455114699931441239314532890930475750966298874197033620919483985064569153761 | 11355370095323516607177672864531571766106538153082496519349544037616741834433947329541089287050682412279659516840986469876970063530006613268281860864680428 | [
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10.55557476,
0.03542525,
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[
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9.18591945,
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[
0.03443106,
0.00407787,
9.72082693
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] | [
[
1.62493218,
7.73710977,
6.65116033
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[
6.87212518,
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6.70018957
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[
3.89837696,
1.13996379,
2.00986379
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[
8.77229752,
1.48371351,
1.84657675
],
[
1.0304819,
3.28939145,
1.95722917
],
[
6.35549668,
3.29847811,
... | [
true,
true,
true
] | Al4Ga15In13O48 | Al4Ga15In13O48 | A48B15C13D4 | [
"Al",
"Ga",
"In",
"O"
] | [
0.05,
0.1875,
0.1625,
0.6
] | [
49,
31,
49,
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49,
31,
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49,
49,
49,
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31,
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49,
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31,
8,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
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_1075583126141627506717095 | 10755831261416275067170956302296823726180933569413023708380519576035466178933396762220928739142496869287813576627378360251827001775054837108469847728461320 | 2025-04-16T17:59:02 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 2.4337 | unknown | 0.02048 | null | null | null | null | null | CO_1180661797783328931275727 | 11806617977833289312757272165339767981135277909536298973833865929664335961339473458755291104356919495833288422567206313271380742137588001181476741716142802 | 1128575069257019880779745417230508566965696753379663151829745835011338718400282519760420534500586352290678030692667117551897217262485081527974689426844323 | [
[
5.080576,
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0.004399
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[
0.012751,
8.701596,
0.025651
],
[
-0.003377,
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9.350623
]
] | [
[
0.970108,
5.765629,
0.077473
],
[
4.124086,
2.939385,
4.707778
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[
1.578482,
1.394361,
4.71153
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[
3.506195,
7.276331,
0.074051
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[
3.520834,
1.267473,
7.317175
],
[
1.591308,
7.388631,
2.75264
],
[
4.140004,
... | [
true,
true,
true
] | Al3Ga13O24 | Al3Ga13O24 | A24B13C3 | [
"Al",
"Ga",
"O"
] | [
0.075,
0.325,
0.6
] | [
31,
31,
13,
31,
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31,
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31,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
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_1028057837270346943164487 | 10280578372703469431644877519958091676220886674554776206149822139345847012504602068906162275898374218958739707300014884888148284244435904841750613826203739 | 2025-04-16T20:22:06 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 4.2465 | unknown | 0.03384 | null | null | null | null | null | CO_3700923436838442864808715 | 3700923436838442864808715937492050655299218725588394248056159052553787615866708130449811606564093053372241111215008403152821101728792097960662143954843072 | 7670353453186296951274447731445868398415383131340006950950423147177725288625941570235407970319631893799621916178675038569626027335642413279660364075044769 | [
[
9.83892065,
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[
0.023026,
8.48669678,
-0.02558647
],
[
0.0431183,
0.0442535,
9.07441155
]
] | [
[
1.65859871,
7.21651321,
6.29208003
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[
6.57841252,
7.16646441,
6.27820989
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[
3.33812236,
1.29455147,
1.76432199
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[
8.29466461,
1.25760532,
1.69878283
],
[
0.89240376,
2.96417796,
1.76562029
],
[
5.76369612,
2.96107492,
... | [
true,
true,
true
] | Al30GaInO48 | Al30GaInO48 | A48B30CD | [
"Al",
"Ga",
"In",
"O"
] | [
0.375,
0.0125,
0.0125,
0.6
] | [
13,
13,
13,
13,
13,
13,
13,
13,
13,
13,
13,
13,
13,
49,
13,
13,
13,
13,
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13,
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13,
31,
13,
13,
13,
13,
13,
13,
13,
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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,
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_1028253938163460894981486 | 10282539381634608949814865851414781009058410976296149916188402124220730625674250054913521785984447742852378844469261254929261664648362474853508948376070298 | 2025-04-16T15:14:02 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.2821 | unknown | 0.06644 | null | null | null | null | null | CO_4060346896100317356593353 | 4060346896100317356593353943110953355473683069483441625731664473434088699147520432661896038432916669255940431007584809405147466994706621324481527398891779 | 13120711575410866462423087077477165974899557339589983000596498050535769578362617110627954259723107172695063577125724035502840954896472672437927875967313789 | [
[
9.94848861,
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0.02037354
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[
-0.03533526,
9.90142032,
-0.0144069
],
[
-0.01710091,
-0.00837517,
9.95896019
]
] | [
[
7.38004716,
2.51155872,
7.54550164
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[
2.50322161,
7.39706856,
7.45405012
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[
7.40355693,
7.48078176,
2.39197771
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[
7.35470557,
7.44728962,
7.53837978
],
[
2.49262979,
7.39546369,
2.49051905
],
[
7.49306876,
2.37186003,
... | [
true,
true,
true
] | Al5Ga6In21O48 | Al5Ga6In21O48 | A48B21C6D5 | [
"Al",
"Ga",
"In",
"O"
] | [
0.0625,
0.075,
0.2625,
0.6
] | [
49,
49,
13,
31,
31,
31,
31,
49,
49,
49,
13,
49,
49,
49,
49,
13,
31,
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49,
49,
49,
49,
49,
49,
49,
31,
49,
49,
49,
49,
13,
49,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
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_1028538751419546479925500 | 10285387514195464799255006017799780008882540581165718468249137022956347913564498485972683331160363239230650667722411140449408748695474807843142362522981792 | 2025-04-16T18:45:06 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 0.5212 | unknown | 0.1302 | null | null | null | null | null | CO_5538741865962132239508948 | 5538741865962132239508948873399638793985923638590192014893593188652485660875032253822481881297166385407491282031013200830969971786969728629844787718262032 | 11525404467720864764719025233573273984422091481436298148810537662337346671623637075635754346049351114979501472963916514947939990473701026307657780596463704 | [
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[
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5.87704655,
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],
[
0.07161218,
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24.82032931
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] | [
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[
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18.4759353
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[
5.14940067,
2.89718925,
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[
5.20868422,
2.83178124,
18.67151447
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[
3.40026738,
-0.08995397,
6.12946961
],
[
3.49714676,
-0.11300... | [
true,
true,
true
] | Al6Ga5In21O48 | Al6Ga5In21O48 | A48B21C6D5 | [
"Al",
"Ga",
"In",
"O"
] | [
0.075,
0.0625,
0.2625,
0.6
] | [
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49,
49,
49,
49,
49,
49,
31,
31,
31,
13,
31,
49,
49,
49,
13,
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13,
49,
49,
49,
31,
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49,
49,
49,
49,
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49,
49,
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"} |