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_4102234360782827005960620 | 4102234360782827005960620502258849289579794409387445323292077698282218832327915114840925440027486531790301994336555727910676226715022775996877331397726416 | 2025-04-16T18:26:59 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.4733 | unknown | 0.08476 | null | null | null | null | null | CO_1655765430411310461608584 | 1655765430411310461608584503299744035599811214937298589330517216928474341948245757400517720048537486187414919707394712412441359664437022375749435654510959 | 1666351246530372939690321926687920116600981553897493571926494503526741722778957950642237972952956952047077295256441043320325793672921195422064614176360606 | [
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[
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[
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[
2.68057248,
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[
2.65384328,
1.54343839... | [
true,
true,
true
] | Al3In9O18 | AlIn3O6 | A6B3C | [
"Al",
"In",
"O"
] | [
0.1,
0.3,
0.6
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49,
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8,
8,
8,
8,
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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_4105071022860124061135051 | 4105071022860124061135051105649911783139036678448942157065996230165043732838777644903069690571716447841506689335108356827717296744567179087495813180039542 | 2025-04-16T16:09:52 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 0.9548 | unknown | 0.01388 | null | null | null | null | null | CO_1008051542827269843329591 | 10080515428272698433295913417766470336371726792015635899447978644382137240181406254254592167129638072588647381405657017289160207525261956517020665319547141 | 13240615478119758662244005066579347694799763798781118918682169919496830513882367707037864783171916924410201499864036665355941831507771462180752067627538526 | [
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[
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10.21831206,
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[
0.02326893,
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[
7.68091066,
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[
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[
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[
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[
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],
[
7.67189442,
2.54332993,
... | [
true,
true,
true
] | AlGaIn30O48 | AlGaIn30O48 | A48B30CD | [
"Al",
"Ga",
"In",
"O"
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0.0125,
0.0125,
0.375,
0.6
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8,
8,
8,
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_4151642225280674961744761 | 4151642225280674961744761706032366375363239750552147437787034027299161754167693689287736867290030160750926612079889302250274182488568438545227297349659619 | 2025-04-16T21:13:01 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 0.8689 | unknown | 0.0548 | null | null | null | null | null | CO_1212582534632464910856861 | 12125825346324649108568615903104930459137032173233788731582812270352003420891773173939516514349524123549136030425099646204311469758927861986084478945261573 | 8597337739260250450761620248342894122800092716672458143163971645539727003264032677383953813437913962350729654172370459837539775188474218084084676246490285 | [
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[
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[
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[
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[
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[
0.95693843,
3.28393235,
1.95863102
],
[
6.55695036,
3.33759105,
2.... | [
true,
true,
true
] | Ga4In28O48 | GaIn7O12 | A12B7C | [
"Ga",
"In",
"O"
] | [
0.05,
0.35,
0.6
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49,
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8,
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... | 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_4155310563351804575346687 | 4155310563351804575346687278040494347310049905844860500017060315594229352671350817852545603379852857882697397537354880678343791168105567259620898868663461 | 2025-04-16T21:13:40 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 3.6805 | unknown | 0.02724 | null | null | null | null | null | CO_1500546622351683518065650 | 1500546622351683518065650526880393336115755721448282950506827474980762767084055365000258705141744486603932375276945616416845637828997962581796443498561734 | 13213105572296056680433404988890566109539896826553004046019307633398481347048615722013019233657246032120523705148652284946324659720394689695183596621086266 | [
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[
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0.00159111
],
[
0.01174921,
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13.39448325
]
] | [
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[
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[
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[
2.46835271,
1.43545694,
6.36359416
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[
2.47433211,
1.4371219,
... | [
true,
true,
true
] | Al6Ga6O18 | AlGaO3 | A3BC | [
"Al",
"Ga",
"O"
] | [
0.2,
0.2,
0.6
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31,
31,
13,
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8,
8,
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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_4157943953762777268211641 | 4157943953762777268211641525522672064104031687115374623478913768756091978690375103354595942334933500631513410230303597426708999773277858686043725233220659 | 2025-04-16T18:12:40 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 3.7127 | unknown | 0.01548 | null | null | null | null | null | CO_1485728816074666318552943 | 1485728816074666318552943729679215141154095947372658164835972093784014833924971357278032138220019949177039180675556778117483181704274563313346425763056347 | 1742359393213799409251622128207756703433639371562081495111703226225562843252727641877260821734356033982544587093021711885633353026561380634885413617986877 | [
[
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[
0.013845,
8.503089,
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],
[
0.010226,
0.002947,
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] | [
[
0.929506,
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[
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[
1.543928,
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[
3.389699,
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[
3.414137,
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7.146572
],
[
1.525124,
7.192987,
2.581723
],
[
3.980147,
... | [
true,
true,
true
] | Al12Ga4O24 | Al3GaO6 | A6B3C | [
"Al",
"Ga",
"O"
] | [
0.3,
0.1,
0.6
] | [
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13,
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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_4164904592917200575898603 | 4164904592917200575898603728926916909063119330902085431922019570767533458796094996516473816468602920969493789658475119970399740386381944951980548856455412 | 2025-04-16T17:24:18 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.3833 | unknown | 0.10572 | null | null | null | null | null | CO_7170946872834508075565105 | 7170946872834508075565105961213343600025923057576199294962552685728584544328299735738311661715966698486854469766833500976830582624125318222945431570246494 | 9465168739978568799976574049913580846536056264075871065345309656522683895029529161846865488426411366690230960322383628685595427976972723693079053382041596 | [
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[
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[
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] | [
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[
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[
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[
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1.90031778
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[
6.42695602,
3.45270804,
... | [
true,
true,
true
] | Al9Ga5In18O48 | Al9Ga5In18O48 | A48B18C9D5 | [
"Al",
"Ga",
"In",
"O"
] | [
0.1125,
0.0625,
0.225,
0.6
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8,
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8,
8,
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... | 80 | 4 | 3 | [
1,
1,
1
] | [
"sg-33"
] | null | data/MD/0818/MD_8971123915224790780050818.json | null | null | null | {"input": {"band-gap": {"value": "tight"}}, "hash": "897112391522479078005081825423581428423727767536302739485007213427119013770078192004135667245475481965910082775139972640517966207403207876612736112382606", "id": "MD_8971123915224790780050818"} |
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[
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] | [
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[
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[
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... | [
true,
true,
true
] | Al13Ga10In9O48 | Al13Ga10In9O48 | A48B13C10D9 | [
"Al",
"Ga",
"In",
"O"
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0.1625,
0.125,
0.1125,
0.6
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8,
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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"} |
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[
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[
4.74194906,
0.20794903... | [
true,
true,
true
] | Al16Ga2In6O36 | Al8GaIn3O18 | A18B8C3D | [
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8,
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8,
8,
8,
8,
8,
8,
8,... | 60 | 4 | 3 | [
1,
1,
1
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"sg-167"
] | null | data/MD/0818/MD_8971123915224790780050818.json | null | null | null | {"input": {"band-gap": {"value": "tight"}}, "hash": "897112391522479078005081825423581428423727767536302739485007213427119013770078192004135667245475481965910082775139972640517966207403207876612736112382606", "id": "MD_8971123915224790780050818"} |
PO_4168837187206674192910869 | 4168837187206674192910869684444498539385824539538534017841660370316007242290662881545134113808296791361341474038829169625815132291195234486218348434173390 | 2025-04-16T15:23:14 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 0.6486 | unknown | 0.07704 | null | null | null | null | null | CO_1063616977767504583127296 | 10636169777675045831272965564528126966866506124018455703747361729184965606145904452764066104601732861264349435808879922253196793063305296210585332483319186 | 12314091870656233747632506559069458820771372159318135964794554003246693370433132796391113021053579990919524488055103920584494726753854776156789203130807601 | [
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6.14606549,
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[
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[
3.48047688,
-0.06946... | [
true,
true,
true
] | GaIn31O48 | GaIn31O48 | A48B31C | [
"Ga",
"In",
"O"
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0.0125,
0.3875,
0.6
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8,
8,
8,
8,
... | 80 | 3 | 3 | [
1,
1,
1
] | [
"sg-194"
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PO_4172760828806611668320129 | 4172760828806611668320129092442738054671224238701191222813536193004223086536672994973496730058715617358003524886625509654795565209467588518092530167677289 | 2025-04-16T20:52:57 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 2.6859 | unknown | 0.08632 | null | null | null | null | null | CO_1324686618737874274243235 | 13246866187378742742432351525486300675872606323227071318125457212718753240952372654320493701535482738733731825018539708988418522940363574295968500443500686 | 6747817245045121956212671711182797958414036009292014320639223344349985922858118844763172375624343039983844588892904548698009558301867131465035987264619514 | [
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[
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[
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[
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[
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7.03326057,
2.51100579
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[
7.02439804,
2.39521307,
... | [
true,
true,
true
] | Al18Ga7In7O48 | Al18Ga7In7O48 | A48B18C7D7 | [
"Al",
"Ga",
"In",
"O"
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0.225,
0.0875,
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0.6
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
... | 80 | 4 | 3 | [
1,
1,
1
] | [
"sg-206"
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PO_4181666977085609336420949 | 4181666977085609336420949484003401554076503179687705220307109164753837364957570915130624029298320953638284300054834817347959810901423797144402566521702072 | 2025-04-16T21:21:56 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.0571 | unknown | 0.04672 | null | null | null | null | null | CO_6644313058701693153745876 | 6644313058701693153745876320746968925310502649113496458189711712929246299944044563677309695466629668725693190366288915128219778023150984159630535262490330 | 4590596600743187223566548135312567797885894570177643508458354288364366950326226857513816753257175515679723760349468949541432287602175833168333636980378083 | [
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[
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2.1524214
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[
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[
2.74257184,
1.55148394,
6.89626155
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[
2.71762029,
1.55347152... | [
true,
true,
true
] | Ga2In10O18 | GaIn5O9 | A9B5C | [
"Ga",
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0.06666666666666667,
0.3333333333333333,
0.6
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] | 30 | 3 | 3 | [
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"sg-167"
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PO_4179091375478831813585202 | 4179091375478831813585202173987912097659271521657568907581579137563176003263225709530539208015294247256493296020274046366109076736548114671629989147568179 | 2025-04-16T18:43:29 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.8691 | unknown | 0.03876 | null | null | null | null | null | CO_8973035034102134694341491 | 8973035034102134694341491483524996829971384867745272739449540936219264099094421398665047459116905460399158552841631232488238127085438739283784690285101543 | 13336128561910644377207636231691060564911987642753611002721181764130795012070819182149951992107855433856939275757173325474032711210557881778629100448924638 | [
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[
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3.145812,
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[
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5.812126
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11.254018,
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[
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[
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[
6.381895,
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[
9.787113,
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3.81444
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[
1.692051,
1.544881,
1.911594
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[
3.579203,
... | [
true,
true,
true
] | Al2Ga4In2O12 | AlGa2InO6 | A6B2CD | [
"Al",
"Ga",
"In",
"O"
] | [
0.1,
0.2,
0.1,
0.6
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31,
31,
13,
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49,
49,
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31,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 20 | 4 | 3 | [
1,
1,
1
] | [
"sg-12"
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[
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[
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[
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[
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[
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[
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5.967807
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[
3.26009,
0.011577,
18.423322
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[
1.61782... | [
true,
true,
true
] | Al10Ga11In11O48 | Al10Ga11In11O48 | A48B11C11D10 | [
"Al",
"Ga",
"In",
"O"
] | [
0.125,
0.1375,
0.1375,
0.6
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49,
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49,
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8,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
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... | 80 | 4 | 3 | [
1,
1,
1
] | [
"sg-194"
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[
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[
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[
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[
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7.58620644,
2.52166112
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[
7.59132852,
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... | [
true,
true,
true
] | Al4In28O48 | AlIn7O12 | A12B7C | [
"Al",
"In",
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0.05,
0.35,
0.6
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13,
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49,
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8,
8,
8,
8,
8,
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8,
8,
8,
8,
... | 80 | 3 | 3 | [
1,
1,
1
] | [
"sg-206"
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PO_4199295606964215613770235 | 419929560696421561377023543019738983120191827546228936614875968629456877853781181562615050940561045831988030361878859776826749156577180754171740201875775 | 2025-04-16T15:42:27 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 3.1669 | unknown | 0.0392 | null | null | null | null | null | CO_4867824294606678212877613 | 4867824294606678212877613307801145841122338893289000982473374474228025738094303206829167894277543977726901730906336186128220608209662571551689256968269127 | 6530144068582419703661664021419166118069734386959847515701927188504481661678074983322073673725743692830537758879264220877038010829838744358055642407024275 | [
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2.78702617,
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[
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13.79202324
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13.52592633
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[
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[
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[
4.65942189,
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4.92579528
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[
1.58301815,
-0.01777829... | [
true,
true,
true
] | Al14Ga2O24 | Al7GaO12 | A12B7C | [
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"Ga",
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0.05,
0.6
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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_4196695624913646040582594 | 4196695624913646040582594117965595771144273532807382201231996356623901611476025909361505841603264450972269748517082471219094844669027771775732488626829801 | 2025-04-16T21:21:56 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.0908 | unknown | 0.1386 | null | null | null | null | null | CO_8669719751208106720761783 | 8669719751208106720761783501626189199084193010768904356977395078715154159471973675183158192542118487776082798166651990629598981319495531602271979672721887 | 9950064048724263500465526521979535573042944642036895506371149009769855555964357242613112391054107329354382627872385424638656469911087858331343697516061554 | [
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[
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[
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[
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[
3.03985359,
1.8693617,
5.57501576
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[
0.01753217,
0.10973598,
... | [
true,
true,
true
] | Al7Ga3In6O24 | Al7Ga3In6O24 | A24B7C6D3 | [
"Al",
"Ga",
"In",
"O"
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0.175,
0.075,
0.15,
0.6
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31,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 40 | 4 | 3 | [
1,
1,
1
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"sg-227"
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PO_4184677962637797355362457 | 4184677962637797355362457367417043485811357660307944975022903096801123829576907360333446265609157623840112789541729560373342449141631498875120458876277727 | 2025-04-16T16:49:48 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 3.4097 | unknown | 0.0276 | null | null | null | null | null | CO_3732855542072348970536880 | 3732855542072348970536880215110973373995042235847603150032954390380841572223625609595902429252471746062181139354010593252280303162886540899120588398533525 | 7418447853426035264189133012882411597237010307774602001640098581500750274889582554123187206647817818263619691090233249935105884236497868651060821976116678 | [
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[
0.00991759,
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[
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... | [
true,
true,
true
] | Al5Ga7O18 | Al5Ga7O18 | A18B7C5 | [
"Al",
"Ga",
"O"
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0.16666666666666666,
0.23333333333333334,
0.6
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8,
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8
] | 30 | 3 | 3 | [
1,
1,
1
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PO_4186507032791446020805347 | 418650703279144602080534772774405534491950299565984341058853877551625687677830134350410622052817531606786265156796928997195634319120647383420652470783136 | 2025-04-16T21:12:08 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.4398 | unknown | 0.1368 | null | null | null | null | null | CO_2299336573618744506258538 | 2299336573618744506258538007074614040642783020830895556963766035110111626850683669912065207830980541519884274673703845421541505023581620562569738695530043 | 10740776463945565468234194512645542554919387790191297245792043816451343054972648144648537562286317045357742643740216524511179245516716392224565310883551679 | [
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[
3.32021553,
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5.75101341
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[
3.80494873,
-0.015164... | [
true,
true,
true
] | Al14Ga5In13O48 | Al14Ga5In13O48 | A48B14C13D5 | [
"Al",
"Ga",
"In",
"O"
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0.175,
0.0625,
0.1625,
0.6
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49,
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8,
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... | 80 | 4 | 3 | [
1,
1,
1
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PO_4192772636257147153298735 | 4192772636257147153298735092007017928150315738909415048815847057774196793004766644407151987280476016750351493810791227306521758632904716896075348659604592 | 2025-04-16T17:38:31 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 2.2478 | unknown | 0.0898 | null | null | null | null | null | CO_1077183148251950019220791 | 10771831482519500192207911210994482956737382221697929128020198690528371900515299696875934105116291428297249935668810972145259243061078710643365139183925762 | 6483785892566636842169011057358928677801789484466476292007102311867129609820664541252422511873091425065090370138896601354594548213172362547217071350598524 | [
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[
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[
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1.28146736,
7.56020292
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[
2.09471584,
7.27468883,
... | [
true,
true,
true
] | Al11In5O24 | Al11In5O24 | A24B11C5 | [
"Al",
"In",
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0.275,
0.125,
0.6
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1,
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"sg-33"
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PO_4190720925334442252807451 | 4190720925334442252807451302666835767574813291452797322957415592724230744727551774349282345083007600347645736586309592087470334328994785260829869776058223 | 2025-04-16T21:43:16 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 0.8515 | unknown | 0.067 | null | null | null | null | null | CO_1247675918227191000161880 | 12476759182271910001618801305598818116497959135548038537882293590706829070540837929403516578396440987164456424256274933159048478569784719226728350745809438 | 6852884462151690226522715493208305657126487905300160295719121440684669577455256822648367254191052475660703580057423010263308449306615043290819152789987982 | [
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[
0.0056901,
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[
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[
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3.28044251,
1.87521436
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[
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3.31588668,
... | [
true,
true,
true
] | AlGa3In28O48 | AlGa3In28O48 | A48B28C3D | [
"Al",
"Ga",
"In",
"O"
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0.0125,
0.0375,
0.35,
0.6
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8,
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8,
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8,
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8,
8,
8,
... | 80 | 4 | 3 | [
1,
1,
1
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PO_4188535054196109430698606 | 4188535054196109430698606151468025331111860170626754573979613378835440623201885234036392630725654606117738391270980726814209021292443895659790934584759467 | 2025-04-16T18:54:05 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.4292 | unknown | 0.07312 | null | null | null | null | null | CO_1209802671183385364415590 | 12098026711833853644155902350528484570522121175180248858172889373964476994115368776474185040632692859070736621418520773683010151950248138233977154977055183 | 9654180764810830414291785929332423681680545423261673692709746906893661757046481135094559116377302093586542424047340018019725290469267990485658456642941639 | [
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6.39201481,
0.0157014
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[
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0.01131328,
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[
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[
0.09779114,
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4.602331
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[
0.09246686,
3.1856593... | [
true,
true,
true
] | Al8Ga11In13O48 | Al8Ga11In13O48 | A48B13C11D8 | [
"Al",
"Ga",
"In",
"O"
] | [
0.1,
0.1375,
0.1625,
0.6
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31,
13,
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49,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
... | 80 | 4 | 3 | [
1,
1,
1
] | [
"sg-12"
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PO_4217336525472102165495709 | 4217336525472102165495709134028349531936086465324106802852182205859132253733475240668325606873536284591996804771034677116647572463902885298936327778315980 | 2025-04-16T15:42:34 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 2.5807 | unknown | 0.0734 | null | null | null | null | null | CO_1136570611154245764986571 | 11365706111542457649865711382827403424099882319006737877496412961964425191686356965098749397474497802208653924093169860064888918710987362520778007134095086 | 1989396756308184805091232189801895806861760188080193055538621615740175246620776884362092180804942252070399181138675765643956717236248379229031034020105405 | [
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[
0.02634746,
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0.97909728,
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1.85681201
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[
5.95991187,
3.01025464,
... | [
true,
true,
true
] | Al18Ga9In5O48 | Al18Ga9In5O48 | A48B18C9D5 | [
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"In",
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0.1125,
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8,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
... | 80 | 4 | 3 | [
1,
1,
1
] | [
"sg-33"
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[
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[
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[
1.08470419,
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2.01308801
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[
6.62148815,
3.35747473,
... | [
true,
true,
true
] | AlGa3In28O48 | AlGa3In28O48 | A48B28C3D | [
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8,
8,
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8,
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8,
8,
8,
8,
... | 80 | 4 | 3 | [
1,
1,
1
] | [
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[
6.85388053,
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... | [
true,
true,
true
] | Al30In2O48 | Al15InO24 | A24B15C | [
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0.025,
0.6
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13,
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8,
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8,
8,
8,
... | 80 | 3 | 3 | [
1,
1,
1
] | [
"sg-206"
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PO_4239912874721219650363776 | 4239912874721219650363776230231378789281151240371535389995694436520167929592236938327937085348070952492322336900018224121173512143290246251726625500987256 | 2025-04-17T18:37:27 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.476 | unknown | 0.09284 | null | null | null | null | null | CO_4984933429331076174084449 | 4984933429331076174084449808342288937201078255926062602543397459001102846846674704977848630917517232084880520208811483987371474039973171720484240714632637 | 5288435108387761569320932677622428178423008785464830645988642364204596019988396603627834252806802230261985758286861885721527170802662526398556564503087365 | [
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6.36281071,
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[
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11.12655906,
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[
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[
0.16120297,
3.178717... | [
true,
true,
true
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"Al",
"Ga",
"In",
"O"
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0.15,
0.0875,
0.1625,
0.6
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8,
8,
8,
8,
... | 80 | 4 | 3 | [
1,
1,
1
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"sg-12"
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PO_4243269570787693969296164 | 4243269570787693969296164237067103241210846707186090566651257373682027980471646051350839663679402054809211537307358896667517766127119433636137704901891724 | 2025-04-16T20:04:47 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.8549 | unknown | 0.05228 | null | null | null | null | null | CO_1487180217377611085341688 | 1487180217377611085341688021019430416544125189731555307682759858021821681673709591256645547240208577355120539109707791146019893138465615620917272774179673 | 7749477079252803530983727718454925215184322034103117045486719108742797931980586517349098971329222669372021763043711048839128817576802753425361812059910801 | [
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[
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[
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0.95724643,
3.12678518,
1.7161978
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[
6.12749158,
3.16844705,
... | [
true,
true,
true
] | Al4Ga23In5O48 | Al4Ga23In5O48 | A48B23C5D4 | [
"Al",
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"In",
"O"
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0.05,
0.2875,
0.0625,
0.6
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8,
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8,
8,
8,
8,
8,
8,
... | 80 | 4 | 3 | [
1,
1,
1
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"sg-33"
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PO_4252219901567164507689367 | 425221990156716450768936798766568400613462990296131974924969948509274894542306114377615426323899569880987274984551626276519248253300738980067347205944428 | 2025-04-16T18:21:55 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.2229 | unknown | 0.05656 | null | null | null | null | null | CO_5757217944336942131188680 | 5757217944336942131188680908989359742832401068488907267332062131125050132594223988750474370223282309889342001036938085991119701217641010364664418054353143 | 2445545292162888613334135833619321129703221119670918235975405048826256093543832485313245029782709069924797026670785027545040940017645965958180876698568521 | [
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[
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7.54052362,
2.49378007
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[
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... | [
true,
true,
true
] | Al6In26O48 | Al3In13O24 | A24B13C3 | [
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"In",
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0.325,
0.6
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... | 80 | 3 | 3 | [
1,
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1
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"sg-206"
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PO_4242766706788362218249193 | 4242766706788362218249193226941054239770450761966981910829777285668052739139244334602742847855559766418667640014511823419264696067659611919761755972114815 | 2025-04-16T20:29:44 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 0.0001 | unknown | 0.11728 | null | null | null | null | null | CO_1124233971857704013949759 | 11242339718577040139497591614189980516360057624921912079070641418621293875277557492864049033686268933368198991793532467011434661899552898812495502436988617 | 4899961900156632235248971617687894613181511760576063967534782544382362614628609375803182808534395740982067295725789593300345683006827949736086245265139966 | [
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[
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15.14240591
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14.60416604
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[
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[
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3.30007108,
1.7916428,
0.19733877
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[
3.28589482,
1.80108629,
... | [
true,
true,
true
] | Ga3In13O24 | Ga3In13O24 | A24B13C3 | [
"Ga",
"In",
"O"
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0.075,
0.325,
0.6
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49,
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8,
8,
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] | 40 | 3 | 3 | [
1,
1,
1
] | [
"sg-227"
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PO_4253967672961726325640096 | 4253967672961726325640096056090923838608605521953442147021286161091918837557301790332874612456733207263051265584254428717801550804389762454972797913764231 | 2025-04-16T16:26:41 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 2.4325 | unknown | 0.12736 | null | null | null | null | null | CO_1286497785669172681882987 | 12864977856691726818829871574195830617760659781401751267515415903869605759060412803904184977039312907043735948227584075692206113997384682668678260098094976 | 11479912824782076891891846037986906236902493280990109243226646921303063826709467944460950281168466898043829673962176678938159276785505795042617458862480115 | [
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[
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[
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[
2.54898775,
1.50609215,
6.71881626
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[
2.54323048,
1.51667547... | [
true,
true,
true
] | Al6Ga2In4O18 | Al3GaIn2O9 | A9B3C2D | [
"Al",
"Ga",
"In",
"O"
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0.2,
0.06666666666666667,
0.13333333333333333,
0.6
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49,
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8,
8,
8,
8,
8,
8,
8,
8,
8
] | 30 | 4 | 3 | [
1,
1,
1
] | [
"sg-167"
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PO_4268294495272748475616817 | 4268294495272748475616817032304773576187912923136256971026883500702874369904126130428231348819192022673087901618192089589472150997047471436250073350611020 | 2025-04-16T16:56:18 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 3.4535 | unknown | 0.00488 | null | null | null | null | null | CO_5615761753690164707198461 | 561576175369016470719846113169765129087939207887655693977767024980811368956714453438654567022660301172855508218643945782685847601564730950938447272661229 | 1574286075662989177972681396202833944469389095851133323204571693548700881166937041357362649922663635243518687998496805216809643068189142172166798951432085 | [
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[
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[
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5.552955
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[
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[
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[
1.530592,
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[
3.213364... | [
true,
true,
true
] | Al6Ga2O12 | Al3GaO6 | A6B3C | [
"Al",
"Ga",
"O"
] | [
0.3,
0.1,
0.6
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31,
31,
13,
13,
13,
13,
13,
13,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 20 | 3 | 3 | [
1,
1,
1
] | [
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[
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[
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] | [
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15.35856825
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[
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[
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[
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[
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1.97815826,
5.47098038
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[
-0.72990572,
0.39013396,
... | [
true,
true,
true
] | Ga4In12O24 | GaIn3O6 | A6B3C | [
"Ga",
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] | [
0.1,
0.3,
0.6
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31,
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8,
8,
8,
8,
8,
8,
8,
8,
8
] | 40 | 3 | 3 | [
1,
1,
1
] | [
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[
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2.72170597,
1.52020235,
6.90772
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[
2.68335227,
1.52274707,
... | [
true,
true,
true
] | Ga3In9O18 | GaIn3O6 | A6B3C | [
"Ga",
"In",
"O"
] | [
0.1,
0.3,
0.6
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49,
49,
49,
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49,
49,
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8,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 30 | 3 | 3 | [
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1
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PO_4279893294530891417581987 | 4279893294530891417581987041591048081754485850997063651527081214865194976509009521451793875240578962348245038274720393189730463926646238595403496693186510 | 2025-04-16T17:06:11 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 2.2242 | unknown | 0.03864 | null | null | null | null | null | CO_9569255511414966317115026 | 956925551141496631711502644423490399373766725607232453779441850098088537322312948083828822680640570797573097776622338608459245473051405531176785971019725 | 9721160921667489100081027644020250225604955330339719888636344348630107273116875448933882370804716064311939733234407237008123784557287678728492671888894884 | [
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[
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true,
true,
true
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0.25,
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PO_4280290218910128579960949 | 4280290218910128579960949349688894577465826984566493743700430658054130066685303374313648565461204699425771844465813974835748935142232659157167164646263137 | 2025-04-16T22:04:30 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 3.3501 | unknown | 0.0228 | null | null | null | null | null | CO_1185847878813155978809692 | 11858478788131559788096922273607636772537266669640559868548477585714189577006807092740351930764560900338244864783095850242729566642029216818603219530992046 | 9406645770676775312523682381821687687823223929652935633383816407517873769666553068842298399894584436134692792038960310025818968086000042604103997596252219 | [
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[
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[
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[
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... | [
true,
true,
true
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"Ga",
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0.15,
0.6
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PO_4283555316263511062372271 | 4283555316263511062372271647240694177533200426706833387699287834995490632247406821445761737437911664057637988313559151002258180029959867775880510994896928 | 2025-04-16T16:09:45 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 2.2177 | unknown | 0.10008 | null | null | null | null | null | CO_4663545976304465664363908 | 4663545976304465664363908321411184313475091471639277957182343252652438408596711951183785450662796692564433091426458411391607825849041973136252582852857912 | 3967748518522603376865893001057935002620649720314368251776319437977238289347860711460056244119974577953073864475125603224520466799083743582607870151542543 | [
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[
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... | [
true,
true,
true
] | Al11Ga3In2O24 | Al11Ga3In2O24 | A24B11C3D2 | [
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[
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2... | [
true,
true,
true
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[
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[
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[
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true,
true,
true
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[
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[
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... | [
true,
true,
true
] | Al18Ga7In7O48 | Al18Ga7In7O48 | A48B18C7D7 | [
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"In",
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0.0875,
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[
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[
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... | [
true,
true,
true
] | Al4Ga2In26O48 | Al2GaIn13O24 | A24B13C2D | [
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[
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true,
true,
true
] | Al7Ga4In5O24 | Al7Ga4In5O24 | A24B7C5D4 | [
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] | null | data/MD/0818/MD_8971123915224790780050818.json | null | null | null | {"input": {"band-gap": {"value": "tight"}}, "hash": "897112391522479078005081825423581428423727767536302739485007213427119013770078192004135667245475481965910082775139972640517966207403207876612736112382606", "id": "MD_8971123915224790780050818"} |
PO_4305450271100327818441201 | 4305450271100327818441201078700416157094159779300327462954123697289238607026728340346333716730792877802722323535917358788307485225311516878490317727503479 | 2025-04-16T21:38:17 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 2.5246 | unknown | 0.05588 | null | null | null | null | null | CO_1811618518848841858673272 | 1811618518848841858673272825621031799260174593490327671876479862627090890146166378704748557949409417065118598985705537816601381302830274840867384994978693 | 4545538662314104579056637526613416294801688018267954882214019197960402422008968104915622976378977942375921882921149778619930852686959155078762551482474111 | [
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[
0.03974622,
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[
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[
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[
0.01093636,
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3.08104626
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[
0.03021912,
-0.0174644,... | [
true,
true,
true
] | Al2GaInO6 | Al2GaInO6 | A6B2CD | [
"Al",
"Ga",
"In",
"O"
] | [
0.2,
0.1,
0.1,
0.6
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31,
49,
13,
13,
8,
8,
8,
8,
8,
8
] | 10 | 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_4299935976170416742409485 | 4299935976170416742409485190997761731195547556640750690362905625899720833399668167147080764965882649535583463912265385776475898982111185631347965044015163 | 2025-04-16T21:43:25 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 0.5994 | unknown | 0.1386 | null | null | null | null | null | CO_6292185695947060187900229 | 6292185695947060187900229234255071264999380956383300759987535276940448577829307236964545646755943327153263327690842485054614169997120934433212289646204025 | 3213217858038862729295050845032898900529544953306666598899489317631931746058795280017242511916368360452919825534231735877847010995056656588684521621909637 | [
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[
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5.91336895,
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[
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] | [
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[
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[
3.58310825,
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6.08141777
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[
3.52356196,
-0.20564756,... | [
true,
true,
true
] | Al7Ga2In23O48 | Al7Ga2In23O48 | A48B23C7D2 | [
"Al",
"Ga",
"In",
"O"
] | [
0.0875,
0.025,
0.2875,
0.6
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8,
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8,
8,
8,
8,
... | 80 | 4 | 3 | [
1,
1,
1
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"sg-194"
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PO_4309415824923974638223085 | 4309415824923974638223085788284229263357076745327596232323091833305315696127777856292775138153983606574351146235886776259548957345801054127004139476234599 | 2025-04-16T21:22:14 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.7542 | unknown | 0.07136 | null | null | null | null | null | CO_6647586735175835147991856 | 6647586735175835147991856692274160771772954742417786282167205910806467923723699738580884707558109731347428258280007286910641665098895424303691447086865998 | 8051350166480690733601151070051424333383390392520589833135093424751014183102189753116096972665991113783396800682976719242793644663919790030876865117341807 | [
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[
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[
0.0043113,
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] | [
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[
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[
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[
0.91398905,
3.09686266,
1.71107647
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[
6.17362184,
3.06559941,
... | [
true,
true,
true
] | Al6Ga18In8O48 | Al3Ga9In4O24 | A24B9C4D3 | [
"Al",
"Ga",
"In",
"O"
] | [
0.075,
0.225,
0.1,
0.6
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8,
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8,
8,
8,
8,
... | 80 | 4 | 3 | [
1,
1,
1
] | [
"sg-33"
] | null | data/MD/0818/MD_8971123915224790780050818.json | null | null | null | {"input": {"band-gap": {"value": "tight"}}, "hash": "897112391522479078005081825423581428423727767536302739485007213427119013770078192004135667245475481965910082775139972640517966207403207876612736112382606", "id": "MD_8971123915224790780050818"} |
PO_4343972575116806655396380 | 4343972575116806655396380827770846062564128145637699409387364145551693771356287323534812743895196265780965385899821235696212678803923170286597541648894345 | 2025-04-16T18:39:28 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 0.6862 | unknown | 0.10116 | null | null | null | null | null | CO_5829221323532704610662036 | 582922132353270461066203670939944305568634386458022953126794347015317530212359680519383569489984143296760958289768695979217490191339754807354021696119083 | 10017379836150725248501262744533326182711983649344089052158845637420624272509548254504775868740797275533361474370121161048573635753423762815126041017835951 | [
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[
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] | [
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[
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[
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[
4.30557043,
1.55699988,
2.41224227
],
[
5.0862068,
0.03812172,
... | [
true,
true,
true
] | AlGa10In5O24 | AlGa10In5O24 | A24B10C5D | [
"Al",
"Ga",
"In",
"O"
] | [
0.025,
0.25,
0.125,
0.6
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8,
8,
8,
8,
8,
8,
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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_4340752806181431319331179 | 4340752806181431319331179560738912294043434229021284218006825493911197359168779548430226409411620080054695999797645030195110432439862081747008664496740230 | 2025-04-17T17:45:49 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 2.0286 | unknown | 0.10604 | null | null | null | null | null | CO_9446243114008732423726730 | 9446243114008732423726730098497112424285375351972322159719058385743206435270590713340028773865860548717406202262913078029263927741673423278957464564290905 | 8914004361305096799093267233577562616619058074142283531512115325838046863007839390679385133392184836605453721887557225089372714986484391360308630924286655 | [
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[
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[
0.02329206,
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] | [
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1.79157524,
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[
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[
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[
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[
3.80889406,
0.16787759,
4.79998267
],
[
1.39629044,
0.38196302,
... | [
true,
true,
true
] | Al5Ga10InO24 | Al5Ga10InO24 | A24B10C5D | [
"Al",
"Ga",
"In",
"O"
] | [
0.125,
0.25,
0.025,
0.6
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13,
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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_4310283009209369223990516 | 4310283009209369223990516089469906644628244660502633884032103378423543558520603964510331335286247191601276258587956789918182680785820888659626562953308738 | 2025-04-16T21:43:16 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.3655 | unknown | 0.07352 | null | null | null | null | null | CO_1031965625477754041157554 | 10319656254777540411575549923042078965540352382392303587446607881180131044341955964349166036392122729199360140322683769876324428938004955860839555091678765 | 7135746802315343861521750821685784249075728239908933535729406981118572249441527534305509227069028965892484647108727014358281016415750940170918409802043550 | [
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[
0.01427369,
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[
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[
0.89909121,
3.18520939,
1.8635182
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[
6.19745193,
3.22690624,
... | [
true,
true,
true
] | Al4Ga16In12O48 | AlGa4In3O12 | A12B4C3D | [
"Al",
"Ga",
"In",
"O"
] | [
0.05,
0.2,
0.15,
0.6
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
... | 80 | 4 | 3 | [
1,
1,
1
] | [
"sg-33"
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PO_4310976338273914962389516 | 4310976338273914962389516709575610400569884327610911079114215946293992155582835114701825868597839856170465516204108265627626773469085670690130969766819710 | 2025-04-16T15:44:32 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 2.4442 | unknown | 0.10964 | null | null | null | null | null | CO_8326148377295355305639537 | 8326148377295355305639537679502107401654879359623404829352060596538397132419952577154762285720938374879289725466904417629256248947103463026295424044530062 | 7384297975770106724732439699327537541495153356495752431605420933563038104315976523345452028787715605996287677471233163354459994082651084365569537229313940 | [
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[
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[
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[
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2.2974699,
7.14874029,
2.56647204
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[
7.18391078,
2.3102213,
2... | [
true,
true,
true
] | Al20In12O48 | Al5In3O12 | A12B5C3 | [
"Al",
"In",
"O"
] | [
0.25,
0.15,
0.6
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49,
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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_4326360205081920357042511 | 4326360205081920357042511425744067989540882749462764556161857345138296131723124254338812242741986749017489706493610422331082500933986594696529914102377964 | 2025-04-16T18:31:36 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 0.9869 | unknown | 0.12944 | null | null | null | null | null | CO_8580909955804396718780139 | 858090995580439671878013925856324555194248923092465851337318782278211672498042834482993199641382681770912112524695638171309714553462343282156202278143357 | 3585391586727667890492218459731725416017505727361864869947242515265866908858320746759710969640195133851467250654474720970692709380670589223471023158635431 | [
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[
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[
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[
10.18491675,
1.60468167,
3.94789658
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[
1.60918911,
1.58979431,
... | [
true,
true,
true
] | Al2In6O12 | AlIn3O6 | A6B3C | [
"Al",
"In",
"O"
] | [
0.1,
0.3,
0.6
] | [
49,
13,
49,
49,
49,
49,
49,
13,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 20 | 3 | 3 | [
1,
1,
1
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PO_4329195506588334007812340 | 4329195506588334007812340702289672040548664356370900604505270573553469663641611683676424711581883794814657767417628819992734143804942994444057642226503208 | 2025-04-16T16:45:28 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 0.9872 | unknown | 0.11236 | null | null | null | null | null | CO_6970747801783528428913796 | 6970747801783528428913796942691921293951873935388957932787464582046756840205202403744432272677495799756494503652920976208337358169069777357009812901250184 | 11949983711695642081131017423805873239161780289749374976579005819625192838027999493644566563127571058313138231128387599029100532677783452878685191150524471 | [
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[
3.33327304,
0.07176621... | [
true,
true,
true
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0.0375,
0.225,
0.6
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[
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true,
true
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[
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[
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3.032... | [
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true,
true
] | Al19Ga13O48 | Al19Ga13O48 | A48B19C13 | [
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"Ga",
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0.6
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[
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[
2.60429163,
1.52178208,
6.70347432
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[
2.59464214,
1.5318653... | [
true,
true,
true
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"Ga",
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0.26666666666666666,
0.13333333333333333,
0.6
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[
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[
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[
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[
2.51715585,
1.46341153,
6.51228316
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[
2.52684225,
1.46243761,... | [
true,
true,
true
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"O"
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0.26666666666666666,
0.03333333333333333,
0.1,
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8,
8,
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8,
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] | 30 | 4 | 3 | [
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[
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[
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0.07499823,
5.70562032
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[
3.68930911,
0.04069576,... | [
true,
true,
true
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"Al",
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"In",
"O"
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0.1125,
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... | 80 | 4 | 3 | [
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[
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... | [
true,
true,
true
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0.3375,
0.6
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8,
8,
8,
8,
... | 80 | 3 | 3 | [
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1,
1
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[
3.24190968,
0.0653878... | [
true,
true,
true
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"sg-194"
] | null | data/MD/0818/MD_8971123915224790780050818.json | null | null | null | {"input": {"band-gap": {"value": "tight"}}, "hash": "897112391522479078005081825423581428423727767536302739485007213427119013770078192004135667245475481965910082775139972640517966207403207876612736112382606", "id": "MD_8971123915224790780050818"} |
PO_4352213169805627632196828 | 4352213169805627632196828243161699764564841709047587631334507853596148715204971061946993567101191035084066042926293758300245533510803845290236956807134110 | 2025-04-16T16:50:51 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 0.6322 | unknown | 0.14872 | null | null | null | null | null | CO_1337564158368843727015426 | 13375641583688437270154263165244584571384067305242664018097980248263422601381549945185939498851697986213375192806025456049557441887356472326675058844434402 | 3770674054705308405852176482620202123942149860602641898952465459393431652514522615699081829128447054444036621076906595269645492753709359359356699787981621 | [
[
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[
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6.0437233,
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[
0.14127154,
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24.20983678
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[
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[
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[
3.57496411,
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6.06761892
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[
3.68772402,
0.00838215,... | [
true,
true,
true
] | Al9GaIn22O48 | Al9GaIn22O48 | A48B22C9D | [
"Al",
"Ga",
"In",
"O"
] | [
0.1125,
0.0125,
0.275,
0.6
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8,
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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_4372911213242168252290223 | 4372911213242168252290223230582687245640337606801520924291851156069243909277920610981062164345983506920800018280828718760080316335380855721337738211011297 | 2025-04-16T16:46:28 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.885 | unknown | 0.0944 | null | null | null | null | null | CO_6805994952308069666959163 | 6805994952308069666959163803341093964593590682985038020929467295011552907228688918094678123546374780536208407521521960715020821273545388414615690338074281 | 1814522338052182131156630763326486026348832141857165171715220699204688527370814080930420799692497611688602837137760549372254148170474517652403080719909041 | [
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[
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[
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[
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[
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[
2.62958711,
1.54741752,
6.70336769
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[
2.62739214,
1.55605658,... | [
true,
true,
true
] | Al4GaIn7O18 | Al4GaIn7O18 | A18B7C4D | [
"Al",
"Ga",
"In",
"O"
] | [
0.13333333333333333,
0.03333333333333333,
0.23333333333333334,
0.6
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8,
8,
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8,
8,
8,
8
] | 30 | 4 | 3 | [
1,
1,
1
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"sg-167"
] | null | data/MD/0818/MD_8971123915224790780050818.json | null | null | null | {"input": {"band-gap": {"value": "tight"}}, "hash": "897112391522479078005081825423581428423727767536302739485007213427119013770078192004135667245475481965910082775139972640517966207403207876612736112382606", "id": "MD_8971123915224790780050818"} |
PO_4375070942208238929185277 | 4375070942208238929185277155368509241018099256443280765110617303787735359644129952164280864896815919054358263306996071075264805607191132300026333606257891 | 2025-04-16T15:44:31 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.0476 | unknown | 0.03132 | null | null | null | null | null | CO_7807786917665762672297640 | 7807786917665762672297640398203609990525535690793693877378703604834897256662356244648954429442494146037476042213435082566103837771143413366865120532836603 | 2148186143902845681194184684691791640515260412933841489818893810796000049717685067834327357384663340892585880535402606651350162763044462555946076248454567 | [
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[
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10.1524254,
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[
0.02415472,
0.00243748,
10.1132687
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] | [
[
7.56216347,
2.47914673,
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[
2.528915,
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[
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[
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[
2.48747958,
7.62559858,
2.52480791
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[
7.55595456,
2.45585901,
... | [
true,
true,
true
] | Al2Ga3In27O48 | Al2Ga3In27O48 | A48B27C3D2 | [
"Al",
"Ga",
"In",
"O"
] | [
0.025,
0.0375,
0.3375,
0.6
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
... | 80 | 4 | 3 | [
1,
1,
1
] | [
"sg-206"
] | null | data/MD/0818/MD_8971123915224790780050818.json | null | null | null | {"input": {"band-gap": {"value": "tight"}}, "hash": "897112391522479078005081825423581428423727767536302739485007213427119013770078192004135667245475481965910082775139972640517966207403207876612736112382606", "id": "MD_8971123915224790780050818"} |
PO_4365509843738724456593177 | 4365509843738724456593177368028521253319076876142193929823907002444184291535185253460493548435250699135913945387036044669264419796247631060640696233123043 | 2025-04-16T19:57:31 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 4.3228 | unknown | 0.03784 | null | null | null | null | null | CO_9664431769147904558030022 | 9664431769147904558030022810307944341907119422611667548464842012359629999914667141600502534044949103551252148732047614369756754813497228259774204632254595 | 9453184563961399050619108559094196647476953450635820251999500250994132772706957941308006092264160143041928201721886270850887613614964817009862745210966103 | [
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[
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4.24192477,
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],
[
-0.02343233,
0.01988559,
13.31813476
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] | [
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[
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[
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[
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[
2.43764695,
1.42452766,
6.44968554
],
[
2.42595494,
1.43436398,
... | [
true,
true,
true
] | Al10GaInO18 | Al10GaInO18 | A18B10CD | [
"Al",
"Ga",
"In",
"O"
] | [
0.3333333333333333,
0.03333333333333333,
0.03333333333333333,
0.6
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13,
13,
13,
13,
49,
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31,
13,
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8,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
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_4384082290545949635192575 | 4384082290545949635192575962901920568606609355599416285479656480073375107638568758049499904286077135403634213608805302412182284208303316416234074461629997 | 2025-04-16T16:00:44 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.5641 | unknown | 0.1048 | null | null | null | null | null | CO_5234406868238517454109377 | 5234406868238517454109377794086752500736210374638225704381739107485109957713046097785879221736850754927887021376512701093819218455944682026726502907674802 | 1242816615504055086198006093827625362352045915841326391472871253553007633894018554550552639847675729939024387943284539208219853443417109551117427874981100 | [
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[
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9.1188076,
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],
[
0.04469979,
0.01811007,
9.84869399
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] | [
[
0.93136866,
6.10901425,
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[
4.27838857,
3.15125869,
4.88632718
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[
1.6291712,
1.51739628,
4.90897275
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[
3.58213415,
7.64477443,
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[
3.71168937,
1.43078829,
7.73742152
],
[
1.4826915,
7.81590727,
... | [
true,
true,
true
] | Al6In10O24 | Al3In5O12 | A12B5C3 | [
"Al",
"In",
"O"
] | [
0.15,
0.25,
0.6
] | [
13,
49,
49,
13,
49,
49,
49,
49,
49,
49,
49,
49,
13,
13,
13,
13,
8,
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8,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 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_4391825764074495324238773 | 4391825764074495324238773014274635811390549620809851315678446823611802500401215126518867231820602494069003720299321455703218001712696988210506739494520346 | 2025-04-16T21:21:56 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 3.2922 | unknown | 0.02772 | null | null | null | null | null | CO_8126808246843007036351826 | 8126808246843007036351826303881412862826609427195638990538050231148239163250790702617364851978726238528861290576657785590148026050288219808935930341543331 | 213250873713014534578611802894354549286744217972652192526898252839611783848209047319363846773703811966554611195822224764447498576223026766282797590690470 | [
[
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[
0.021655,
8.598947,
0.024298
],
[
0.039826,
0.008272,
9.17422
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] | [
[
0.951369,
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[
4.09855,
2.889773,
4.614561
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[
1.589754,
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4.648434
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[
3.431752,
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0.020191
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[
3.436998,
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7.129553
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[
1.597507,
7.344586,
2.634286
],
[
4.067821,
... | [
true,
true,
true
] | Al9Ga7O24 | Al9Ga7O24 | A24B9C7 | [
"Al",
"Ga",
"O"
] | [
0.225,
0.175,
0.6
] | [
31,
31,
13,
31,
13,
13,
13,
31,
13,
31,
13,
31,
13,
13,
31,
13,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 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_4393235787831476759515981 | 4393235787831476759515981360597940208589609253234769667969230948099823832112603183168459830957191478191471919522847628523306529192842086894251553246834635 | 2025-04-16T16:08:30 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 0.8039 | unknown | 0.08396 | null | null | null | null | null | CO_6055404500613757214591556 | 6055404500613757214591556926687385895994362867657529573099199060127583312791854791629275520976831055596965685160217776590036453711968514466018914459784550 | 11325758112324274043085747916471074702911495705140178731995268701268767944857108100516401597745370163844871080534297327200775685202771437133662385717585566 | [
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11.24300378,
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[
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9.54202903,
0.04602589
],
[
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10.26491988
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] | [
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1.75364353,
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[
7.34443354,
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[
3.85856184,
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1.91103826
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[
9.48261412,
1.37294866,
1.97198221
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[
1.05787747,
3.3809566,
1.91591939
],
[
6.69506183,
3.37850512,
... | [
true,
true,
true
] | AlGaIn30O48 | AlGaIn30O48 | A48B30CD | [
"Al",
"Ga",
"In",
"O"
] | [
0.0125,
0.0125,
0.375,
0.6
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49,
49,
49,
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49,
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49,
49,
49,
49,
49,
49,
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,
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_4378601142933339852803717 | 4378601142933339852803717194914525303453886866212985930180013514029715321836760240104714208395716822989198793322651038993288976171593022221393601759630956 | 2025-04-16T21:13:40 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.5539 | unknown | 0.08104 | null | null | null | null | null | CO_8176244511172783789466402 | 8176244511172783789466402531353973180573765502802423994729638497429219234552385269491522717743240259550190913892883353125542099955243096021711631966226525 | 12387030462300662453828200260197515099971134951989241116400367905043104430711433911622834719413002058258471922845684400648488313992416014489742656433834635 | [
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5.341528,
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[
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4.606209,
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[
0.004417,
0.008048,
14.131647
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] | [
[
0.000736,
0.001369,
2.12466
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[
0.002621,
0.00511,
9.016912
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[
0.003603,
0.006923,
11.999728
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[
0.001375,
0.002938,
5.006294
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[
2.662339,
1.564417,
6.727905
],
[
2.66436,
1.568283,
13.735055
],
[
2.6607,
... | [
true,
true,
true
] | Al2Ga3In7O18 | Al2Ga3In7O18 | A18B7C3D2 | [
"Al",
"Ga",
"In",
"O"
] | [
0.06666666666666667,
0.1,
0.23333333333333334,
0.6
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31,
49,
49,
13,
31,
49,
49,
13,
31,
49,
49,
49,
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_4401122466822027009542979 | 4401122466822027009542979261516381869965801443855163724952953165654419186416556473638324772194427217197644385961088558116232930708121497804130679761196440 | 2025-04-16T18:22:38 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 2.2182 | unknown | 0.08324 | null | null | null | null | null | CO_8573388962149326925733306 | 8573388962149326925733306221564910688886960894093658773263443464241219779212366326108735816423032192785104684722245504358025407010627911203732258189454727 | 13001264094711842404050178647780139555363551267145703845854491585794138343313039445345930889317080835535104248936297618832590850170677289188422691852726946 | [
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[
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[
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[
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[
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[
1.535976,
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[
-0.1830... | [
true,
true,
true
] | Al11Ga5O24 | Al11Ga5O24 | A24B11C5 | [
"Al",
"Ga",
"O"
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0.275,
0.125,
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-227"
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PO_4406536446891988601963987 | 440653644689198860196398791054477966628872548517253818159683990427360083072384779831044151848159873798489656427354134934428150872037479435339667134235266 | 2025-04-16T20:19:02 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 0.8162 | unknown | 0.08076 | null | null | null | null | null | CO_1074158634580719986418623 | 10741586345807199864186232499256128199779487140251262550193199231895372158743867097504091287841935881385503687741341629715146826306370793314582958553866005 | 6705785448429815078865802642036328414780078721423436540733164880567474336609706152161140911562977832858165775571041277030516408049599192594432086690801610 | [
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[
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[
10.40210215,
1.57769287,
4.18724552
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[
1.54541143,
1.60112456,
... | [
true,
true,
true
] | GaIn7O12 | GaIn7O12 | A12B7C | [
"Ga",
"In",
"O"
] | [
0.05,
0.35,
0.6
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31,
49,
49,
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49,
49,
8,
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8,
8,
8,
8,
8,
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1,
1,
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[
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0.0386449
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[
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[
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[
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4.66336155
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[
0.02413593,
3.18082... | [
true,
true,
true
] | Al13Ga8In11O48 | Al13Ga8In11O48 | A48B13C11D8 | [
"Al",
"Ga",
"In",
"O"
] | [
0.1625,
0.1,
0.1375,
0.6
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8,
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8,
8,
8,
8,
8,
... | 80 | 4 | 3 | [
1,
1,
1
] | [
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1.41079741,
7.1355904
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[
1.47391455,
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2.... | [
true,
true,
true
] | Al14In2O24 | Al7InO12 | A12B7C | [
"Al",
"In",
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0.35,
0.05,
0.6
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] | 40 | 3 | 3 | [
1,
1,
1
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"sg-33"
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[
0.05415329,
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9.47204092
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[
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[
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[
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[
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2.98633921,
1.87729206
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[
5.93941158,
3.03418396,
1... | [
true,
true,
true
] | Al10Ga17In5O48 | Al10Ga17In5O48 | A48B17C10D5 | [
"Al",
"Ga",
"In",
"O"
] | [
0.125,
0.2125,
0.0625,
0.6
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31,
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31,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
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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8.7540213,
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[
0.07074219,
0.02136303,
9.23642042
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] | [
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[
0.91788468,
3.00255602,
1.74717972
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[
5.97826722,
3.08969982,
... | [
true,
true,
true
] | Al23Ga3In6O48 | Al23Ga3In6O48 | A48B23C6D3 | [
"Al",
"Ga",
"In",
"O"
] | [
0.2875,
0.0375,
0.075,
0.6
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8,
8,
8,
8,
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8,
8,
8,
8,
... | 80 | 4 | 3 | [
1,
1,
1
] | [
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PO_4804208148379637126305744 | 480420814837963712630574453403199871538162692489607052467328906370391197466133114680785191123066852992821566348147268671252907331944557211237926201675527 | 2025-04-16T19:02:16 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.8048 | unknown | 0.08428 | null | null | null | null | null | CO_9160323293608891823267876 | 9160323293608891823267876016313798580175275061988892236481425818851057100813915069827976315645343095384990463012294471528887536474163765958962617197602088 | 11048792549256141271388564390668408048316416137171037569418320687441206856850231659119999759799243293384566103099634892407729946374363171810454989410982968 | [
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[
0.0006517,
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[
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[
0.92727817,
3.17715056,
1.81215553
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[
6.27352086,
3.38526389,
... | [
true,
true,
true
] | Al10Ga10In12O48 | Al5Ga5In6O24 | A24B6C5D5 | [
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"In",
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0.125,
0.15,
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
] | [
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4.50562609,
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[
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0.04011025,
14.00955817
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[
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[
2.58777495,
1.54665833,
6.57207714
],
[
2.57375834,
1.56876103,... | [
true,
true,
true
] | Al3Ga4In5O18 | Al3Ga4In5O18 | A18B5C4D3 | [
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"O"
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0.13333333333333333,
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8,
8,
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8,
8,
8,
8
] | 30 | 4 | 3 | [
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1,
1
] | [
"sg-167"
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PO_4411195205582654742722581 | 4411195205582654742722581846175663920738435540904169361199511564112863459883183081513511243687216400123572106887401995629334114900867200345278783696489182 | 2025-04-16T20:21:52 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 3.4503 | unknown | 0.06568 | null | null | null | null | null | CO_5843990642441619420011987 | 5843990642441619420011987913609887668460276719232660880199178222485873099474646291622795907069457085833451127099861776653786094009271706876919472921272519 | 945156604827925369496754469518606840928847596902244241638337966388297339494616965221658071889614917672408885304807319868902718003770071712845499962512134 | [
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2.88820641
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[
0.01819014,
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... | [
true,
true,
true
] | Al3GaO6 | Al3GaO6 | A6B3C | [
"Al",
"Ga",
"O"
] | [
0.3,
0.1,
0.6
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31,
13,
13,
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8,
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8,
8,
8,
8
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1,
1,
1
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"sg-194"
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PO_4411491529490076864665929 | 4411491529490076864665929707353577739342711631009298395866760422825746305315397702629052441995681461078735131525428383048203516771487555389668762998095570 | 2025-04-16T19:57:28 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.8063 | unknown | 0.0774 | null | null | null | null | null | CO_4615227149238644728685569 | 4615227149238644728685569324324569735151593977606702835147649952000285533995532083252191311564960942506113030102576361284461378323757040453675311566035237 | 7380332591623064681373083781329015884351659226207940627894062573379152909686960426119695951830987513101656479998185556011036050388944283059331370432433819 | [
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[
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[
0.08984174,
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[
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[
7.20880098,
2.47549923,
2... | [
true,
true,
true
] | Al8Ga13In11O48 | Al8Ga13In11O48 | A48B13C11D8 | [
"Al",
"Ga",
"In",
"O"
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0.1,
0.1625,
0.1375,
0.6
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49,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
... | 80 | 4 | 3 | [
1,
1,
1
] | [
"sg-206"
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PO_4413700895519135243585688 | 4413700895519135243585688338321954335693850536444186457012309888205812869813801358866726454106507075132680131001469765507833488031171267719661977813425635 | 2025-04-16T16:07:32 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 2.3029 | unknown | 0.13224 | null | null | null | null | null | CO_5991056486693458615947308 | 5991056486693458615947308815874986734701711807177365351913968340089941545756196376340410592087316461754018490673622038409675292734756987773126621078483280 | 5312043252548013030126326033685162532830599401086916580770371627536580396260675241997402183714527472240647786104182437971767453945309568312186729041649599 | [
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[
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[
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[
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0.30250318
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[
2.84010965,
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... | [
true,
true,
true
] | Al13GaIn2O24 | Al13GaIn2O24 | A24B13C2D | [
"Al",
"Ga",
"In",
"O"
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0.325,
0.025,
0.05,
0.6
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49,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 40 | 4 | 3 | [
1,
1,
1
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"sg-227"
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PO_4833955675121406140087371 | 4833955675121406140087371287195464980231235992117230768974713495455948309136650341638049967739227090263801276111319476886003206241077064082685523288435807 | 2025-04-17T17:45:49 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.5813 | unknown | 0.11764 | null | null | null | null | null | CO_1108154062385445082064019 | 11081540623854450820640194418533863928581349198468223446430443959924095182004537335615503473147417804979443896553822258336548267803442054276807545626656879 | 7176201434222255482560248314027401778505354072279173898362794638424417032636488782617903201513569664124831405259889861939572704826647041808160842411437608 | [
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[
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... | [
true,
true,
true
] | Al14Ga12In6O48 | Al7Ga6In3O24 | A24B7C6D3 | [
"Al",
"Ga",
"In",
"O"
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0.175,
0.15,
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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_4834715068455295704068552 | 4834715068455295704068552745371883894255580581915294172055950073691437485799213310619131919658343988124571466524916171140111002758563697378533022733398082 | 2025-04-16T19:01:50 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.8706 | unknown | 0.0364 | null | null | null | null | null | CO_6416257763774614446290455 | 6416257763774614446290455954232826290445459503767578122630154949016885652096559371974052843042254258992408254094365613043465735076635772301220773333056721 | 10833113775286050950734179535995616759587185879927420926585478603195667520372892220654066379074832260956527637129023063796509275709097104900629467748491932 | [
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[
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[
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[
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[
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4.43188883
],
[
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3.13455... | [
true,
true,
true
] | Al7Ga16In9O48 | Al7Ga16In9O48 | A48B16C9D7 | [
"Al",
"Ga",
"In",
"O"
] | [
0.0875,
0.2,
0.1125,
0.6
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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_4838899656885925183498281 | 4838899656885925183498281331382816615526746900795120398432350161646364738095178761129629607700975557414390814019782522434517673889002810461349960039225865 | 2025-04-17T17:56:16 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.5152 | unknown | 0.05428 | null | null | null | null | null | CO_6116819653699313361140556 | 6116819653699313361140556234362558807676078977381933194903293533910017249553176123243962773904899287634573738955730221705856382826499125207078711999143317 | 1146841102702282368680833772062894876779216328243419918887212646567739660298364440076634210849004395353826069922005746985274946312109377341472568197894313 | [
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[
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[
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[
1.616164,
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2.729985
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[
4.166394,
... | [
true,
true,
true
] | Ga12In4O24 | Ga3InO6 | A6B3C | [
"Ga",
"In",
"O"
] | [
0.3,
0.1,
0.6
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 40 | 3 | 3 | [
1,
1,
1
] | [
"sg-33"
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PO_4820790218493934272090743 | 4820790218493934272090743296937009389805528314465558595102233492331068972822783638726621579584362055998177806825918695050982492062541162028177755932240271 | 2025-04-16T21:12:08 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 2.5963 | unknown | 0.08 | null | null | null | null | null | CO_2924297282161885763453356 | 2924297282161885763453356228727417108168818196513201339508091984741606095101959999457040573697728003260453869000976165642987368833535445647171810166704750 | 5086766029976851070212757826970162425894117963073156982392721772113590071711149017649518113487229906351747195125992785364984824549302497863664013659353669 | [
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[
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[
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[
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[
0.90857414,
3.04837574,
1.86930557
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[
5.88717559,
3.04357198,
... | [
true,
true,
true
] | Al20Ga6In6O48 | Al10Ga3In3O24 | A24B10C3D3 | [
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"Ga",
"In",
"O"
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0.25,
0.075,
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0.6
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
... | 80 | 4 | 3 | [
1,
1,
1
] | [
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[
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[
2.69389454,
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true,
true,
true
] | Ga3In9O18 | GaIn3O6 | A6B3C | [
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0.3,
0.6
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49,
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49,
31,
49,
49,
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31,
49,
31,
49
] | 30 | 3 | 3 | [
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] | [
"sg-167"
] | null | data/MD/0818/MD_8971123915224790780050818.json | null | null | null | {"input": {"band-gap": {"value": "tight"}}, "hash": "897112391522479078005081825423581428423727767536302739485007213427119013770078192004135667245475481965910082775139972640517966207403207876612736112382606", "id": "MD_8971123915224790780050818"} |
PO_4823595142323442300848459 | 4823595142323442300848459506186174274018225597700130366118645520805331343009108145743884966848093624146440967405779218377784162651833506142963971913440194 | 2025-04-16T21:37:17 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 0.8297 | unknown | 0.13152 | null | null | null | null | null | CO_2227012433867864684826018 | 2227012433867864684826018947397908727299689988533233646571518938625351763236510597413962347759168664312009304449064406174387057484008820931626364434926012 | 6547897332497863318808724441619653054952361486045144623238166615149590485457253684618501387280849158056854360477222555041637368429821291791918631939700805 | [
[
6.7266392,
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[
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5.78452225,
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],
[
0.00254425,
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24.70602778
]
] | [
[
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0.05230107,
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[
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[
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[
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[
2.77294722,
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5.93116277
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[
3.31378898,
-0.14541872... | [
true,
true,
true
] | Al4Ga15In13O48 | Al4Ga15In13O48 | A48B15C13D4 | [
"Al",
"Ga",
"In",
"O"
] | [
0.05,
0.1875,
0.1625,
0.6
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13,
31,
31,
31,
13,
31,
49,
49,
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49,
31,
31,
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49,
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31,
49,
13,
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49,
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31,
31,
31,
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,
... | 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_4814957776117291773820556 | 4814957776117291773820556794960050165299752757244120678432156947379549769574278636482706245841449761566237405379871298452328095685106047959087778602615842 | 2025-04-16T21:14:40 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 4.8783 | unknown | 0.01176 | null | null | null | null | null | CO_5565587504136652811467251 | 5565587504136652811467251350080797428108990638995915970869821512646154983016437499137335066180512886708756005047226295723458094728635888447159844628987455 | 11210970257104481155499451389938508955174559293150206346537379137046229306281034256504394624422069898652940866417218886937192999951853214277338588747876687 | [
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[
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4.19699367,
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[
0.0005439,
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13.22012453
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1.97209777
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[
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[
0.00065133,
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[
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[
2.42337111,
1.409572,
6.39466578
],
[
2.4238347,
1.41204965,
... | [
true,
true,
true
] | Al10Ga2O18 | Al5GaO9 | A9B5C | [
"Al",
"Ga",
"O"
] | [
0.3333333333333333,
0.06666666666666667,
0.6
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8,
8,
8,
8,
8,
8,
8,
8,
8
] | 30 | 3 | 3 | [
1,
1,
1
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"sg-167"
] | null | data/MD/0818/MD_8971123915224790780050818.json | null | null | null | {"input": {"band-gap": {"value": "tight"}}, "hash": "897112391522479078005081825423581428423727767536302739485007213427119013770078192004135667245475481965910082775139972640517966207403207876612736112382606", "id": "MD_8971123915224790780050818"} |
PO_4847662085175408472597086 | 4847662085175408472597086404069651667576901863202555141361668305846256110716874689532972302221303349893420841735201543942186078072331170154592227032604238 | 2025-04-16T15:43:51 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 0.8462 | unknown | 0.06 | null | null | null | null | null | CO_4027770462492057661394311 | 4027770462492057661394311967337282764258749244404599568250891016930215747155189264300959529412126345880710309012714953766228242033308797510771260137525147 | 4781441332203689462354504503414609431788321164329252359808744628388920296893699795441859880213947610484406097028860028594578238810003006254655515906613513 | [
[
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[
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9.4625572,
0.01768654
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[
-0.05010857,
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10.18443336
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] | [
[
0.98546974,
6.26467565,
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[
4.44738183,
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5.03875792
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[
1.68654853,
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[
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[
3.68146324,
1.37760743,
7.80843724
],
[
1.6147357,
8.13823692,
... | [
true,
true,
true
] | Ga3In13O24 | Ga3In13O24 | A24B13C3 | [
"Ga",
"In",
"O"
] | [
0.075,
0.325,
0.6
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49,
49,
31,
49,
49,
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49,
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31,
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49,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 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_4844417704693277774259096 | 4844417704693277774259096230613711667355785583839502525768293021681383763751453056128700975746096054320701563968079827768764097510968305667927428095044021 | 2025-04-16T16:46:17 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 2.4049 | unknown | 0.04416 | null | null | null | null | null | CO_3463804210307637557881210 | 3463804210307637557881210267150022902601379848152605579634862823533467202346732578793196093000835344143132753289747133193585584820727946685403506669663951 | 11649262336796517178257709938751135322913772254907817053012372078413530980839250131546333897232696887925217396897971050262258891712296236933361589820223570 | [
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[
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[
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] | [
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11.15918824,
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[
11.20095227,
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[
23.4598751,
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[
23.4825705,
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[
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0.03384135,
4.4701558
],
[
-0.10555092,
3.0304406... | [
true,
true,
true
] | Al14Ga13In5O48 | Al14Ga13In5O48 | A48B14C13D5 | [
"Al",
"Ga",
"In",
"O"
] | [
0.175,
0.1625,
0.0625,
0.6
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8,
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8,
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_4846006384750477753809138 | 4846006384750477753809138078287042218159417700292245371833395787871607430246677770748216171871483827078196101899533714347716654504115756787397936631759600 | 2025-04-16T21:14:40 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 2.8609 | unknown | 0.094 | null | null | null | null | null | CO_5320816858299118092066479 | 532081685829911809206647970207776205844951056950200273197706403283357605873887780081410269097021701964197924028421343401207383038046156522439075698889929 | 2912700178487288606460624953368462398826715528984417450546915559242341523480040902363671784649721963778752850041797861871018317469054717409265653777699891 | [
[
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[
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5.00453753,
0.0444793
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[
0.11093003,
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14.19077888
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] | [
[
0.0132951,
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1.91955556
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[
0.06741382,
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12.27755987
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[
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[
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[
1.45516553,
4.12146226,
4.79760936
],
[
1.53988308,
0.80695576,
... | [
true,
true,
true
] | Al13Ga2InO24 | Al13Ga2InO24 | A24B13C2D | [
"Al",
"Ga",
"In",
"O"
] | [
0.325,
0.05,
0.025,
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
] | 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_4850733121264265547115272 | 485073312126426554711527238251283887157948832193684432935632015036038209230564028825350963298959230633885780429756332898491316800055340365494192233438681 | 2025-04-16T21:44:51 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.4438 | unknown | 0.10876 | null | null | null | null | null | CO_1040127005843409625611686 | 10401270058434096256116864130440192474637903149884643926268150255843875561449296912328243196641380496883455101664879436827230347945506347045301394424111821 | 7682421274023394228238493641573452879401053544577863358643490905832472801020112606096940864211601128063176219714981671704808919076478465026346632545141234 | [
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[
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[
0.02602912,
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] | [
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[
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14.32387283
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[
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[
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[
1.40293727,
4.44725936,
2.09999981
],
[
2.84002761,
2.07812751... | [
true,
true,
true
] | Al5Ga6In5O24 | Al5Ga6In5O24 | A24B6C5D5 | [
"Al",
"Ga",
"In",
"O"
] | [
0.125,
0.15,
0.125,
0.6
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 40 | 4 | 3 | [
1,
1,
1
] | [
"sg-227"
] | null | data/MD/0818/MD_8971123915224790780050818.json | null | null | null | {"input": {"band-gap": {"value": "tight"}}, "hash": "897112391522479078005081825423581428423727767536302739485007213427119013770078192004135667245475481965910082775139972640517966207403207876612736112382606", "id": "MD_8971123915224790780050818"} |
PO_4849296719135591984193230 | 4849296719135591984193230016143560495415057860597835223679410013899056031980855245316018426533760688852709305782870280962609422459317692774589627337379308 | 2025-04-17T18:06:06 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 2.6133 | unknown | 0.02672 | null | null | null | null | null | CO_1023859838561643211800163 | 10238598385616432118001633963331625330624842181563510470235114569290655810474545072036268709715749537813732683071065848321670872634736458436184733391221614 | 12304707397371406466855050563019211885807679323021770539436524267625805357505504242225668327432011098236568452269678057270818220828373126047748950682805870 | [
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[
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[
0.002149,
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] | [
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[
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[
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[
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[
3.552647,
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[
1.621839,
7.274088,
2.67713
],
[
4.168715,
... | [
true,
true,
true
] | Al5Ga11O24 | Al5Ga11O24 | A24B11C5 | [
"Al",
"Ga",
"O"
] | [
0.125,
0.275,
0.6
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31,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 40 | 3 | 3 | [
1,
1,
1
] | [
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PO_4858041495968563993694762 | 4858041495968563993694762679989025397012145152356285540728265489075178557556814886778843080029282363361256488131665039471732226021592964306028733459492430 | 2025-04-16T21:38:17 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 3.1106 | unknown | 0.06364 | null | null | null | null | null | CO_6433151203182172102158790 | 6433151203182172102158790854826198753822914186724896475618298060250867157097851025650698669434535776386717465826954677651448106672468360519005006503034826 | 11297580554340483656188876171100997749357745205653440383455888422016165617014901968275278297521812800354753837735165801883051017187445728564374443879878741 | [
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[
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9.25411637,
0.04367048
],
[
0.07481045,
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] | [
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7.02678754,
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6.90022484
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[
2.34146321,
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6.91856316
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[
6.92149904,
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[
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6.87608664
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[
2.4175287,
6.93110384,
2.3469526
],
[
6.92247431,
2.33534048,
... | [
true,
true,
true
] | Al18Ga11In3O48 | Al18Ga11In3O48 | A48B18C11D3 | [
"Al",
"Ga",
"In",
"O"
] | [
0.225,
0.1375,
0.0375,
0.6
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31,
31,
31,
13,
13,
31,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
... | 80 | 4 | 3 | [
1,
1,
1
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PO_4859094698087142043142104 | 4859094698087142043142104233575474782303632575055769374795347282437692227721696312333994808168978901555045014843241902786692635790828366418717802359219228 | 2025-04-16T21:43:16 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.8546 | unknown | 0.08084 | null | null | null | null | null | CO_9478339523935860827431065 | 9478339523935860827431065729633313446895096530412916244045441875647139673042992245164612724337437457288690950894776628211908635128237495976251127763552473 | 1992776863914890847809565831602953090027150331723540248210511300049074644101992123692772460820716049591341398469724818407543003576076330742055813503849948 | [
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[
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[
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... | [
true,
true,
true
] | Al9Ga10In13O48 | Al9Ga10In13O48 | A48B13C10D9 | [
"Al",
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"In",
"O"
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0.1125,
0.125,
0.1625,
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1,
1,
1
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[
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... | [
true,
true,
true
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0.3625,
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1,
1
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"sg-194"
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[
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[
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... | [
true,
true,
true
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"In",
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0.25,
0.05,
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8,
8,
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... | 80 | 4 | 3 | [
1,
1,
1
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"sg-33"
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7.38459653,
2.37493505
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[
7.32976877,
2.50968743,
... | [
true,
true,
true
] | Ga17In15O48 | Ga17In15O48 | A48B17C15 | [
"Ga",
"In",
"O"
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0.2125,
0.1875,
0.6
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... | 80 | 3 | 3 | [
1,
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1
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PO_4867037704384021681696947 | 4867037704384021681696947500825984785237354741337029658028562331148306784176996823504819076526530866206872087350372066891212787801712790460348331134727006 | 2025-04-16T15:42:57 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 0.9376 | unknown | 0.14392 | null | null | null | null | null | CO_1765786396501731515228676 | 1765786396501731515228676404445017362781816982541027515817093194855244079049647035414553697357513276303848596959064841912559748341473395414262219958271473 | 8631434645561505921686689543965075490940894260048212881593123449958713258362423054278662514440023346636603609405901139443054942888515657880048103844256302 | [
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[
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[
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[
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0.37780992,
6.10503873
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[
3.33357086,
-0.01644861... | [
true,
true,
true
] | Al9Ga5In18O48 | Al9Ga5In18O48 | A48B18C9D5 | [
"Al",
"Ga",
"In",
"O"
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0.1125,
0.0625,
0.225,
0.6
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... | 80 | 4 | 3 | [
1,
1,
1
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PO_4873052595163997501309750 | 4873052595163997501309750676510488794895348030258841558746173618824629055178912782393917782739263838856228902678133355422840187093031029692820532773175189 | 2025-04-16T18:52:56 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 2.9074 | unknown | 0.05492 | null | null | null | null | null | CO_1300346329741560904579012 | 13003463297415609045790125038571560045004256699774690834725472919581819078646364675929452339031499433478247365957362605975954852874423055129967311896472727 | 7039703608774384855190993193025621860952256364691408619817137260342088617521387132421416105383255302944531493768862026505226348809828233279671004175443564 | [
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[
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1.48744678,
6.64733079
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[
2.48397892,
1.51176589,... | [
true,
true,
true
] | Al6Ga3In3O18 | Al2GaInO6 | A6B2CD | [
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"Ga",
"In",
"O"
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0.2,
0.1,
0.1,
0.6
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 30 | 4 | 3 | [
1,
1,
1
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"sg-167"
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[
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[
3.38376556,
0.24559007,
5.81496975
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[
3.98866341,
-0.0282832... | [
true,
true,
true
] | Al11Ga5In16O48 | Al11Ga5In16O48 | A48B16C11D5 | [
"Al",
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"In",
"O"
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0.1375,
0.0625,
0.2,
0.6
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8,
8,
8,
8,
8,
8,
8,
8,
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8,
8,
8,
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... | 80 | 4 | 3 | [
1,
1,
1
] | [
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2.94198078,
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[
0.198925,
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14.53431108
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5.02625588,
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[
1.81962196,
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true,
true,
true
] | Al8Ga4In4O24 | Al2GaInO6 | A6B2CD | [
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"O"
] | [
0.2,
0.1,
0.1,
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
] | 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_4888414456475690378630227 | 4888414456475690378630227201087953306157232233797515419561167568407627245515162793806434726497462285214066446800248144472906018812074077316848901776592760 | 2025-04-16T18:48:00 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 3.424 | unknown | 0.0574 | null | null | null | null | null | CO_7194869498579385137230864 | 7194869498579385137230864872226977436976848075636499037449351793352149227537029703892030595544513658888337145880351889732842786604001504743372039391502961 | 12201972353748125165525094429752380729093002848145762114647052825638161252475981003019913655978507642589463331150921710955526368276130185058510037682929599 | [
[
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[
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],
[
0.00228061,
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]
] | [
[
1.45997165,
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[
6.57197534,
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[
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[
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[
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3.03013852,
1.6966461
],
[
5.83154889,
2.94669848,
... | [
true,
true,
true
] | Al28GaIn3O48 | Al28GaIn3O48 | A48B28C3D | [
"Al",
"Ga",
"In",
"O"
] | [
0.35,
0.0125,
0.0375,
0.6
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8,
8,
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... | 80 | 4 | 3 | [
1,
1,
1
] | [
"sg-33"
] | null | data/MD/0818/MD_8971123915224790780050818.json | null | null | null | {"input": {"band-gap": {"value": "tight"}}, "hash": "897112391522479078005081825423581428423727767536302739485007213427119013770078192004135667245475481965910082775139972640517966207403207876612736112382606", "id": "MD_8971123915224790780050818"} |
PO_4882041655106776452331530 | 4882041655106776452331530317960217734453277582238496212468627500869457472519909722655396181358987554208525217099847017237621306878074702001621417133280780 | 2025-04-16T21:09:01 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 3.9691 | unknown | 0.02264 | null | null | null | null | null | CO_3482823385915517403742233 | 3482823385915517403742233719092801270800220300873744591659287263624317672279603332937100057138127322378445996465785443839553681699059759779956005118430667 | 10098413273971023689485869118233842036202416690878956500531933935410758554833170404445577544538835761402302813555321550945413840865787681393266809611810646 | [
[
4.91680606,
0.01834266,
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],
[
-2.47434507,
4.24871026,
-0.00152227
],
[
0.00014524,
0.00740721,
13.32973719
]
] | [
[
0.00020991,
0.00107475,
1.90735749
],
[
0.00014153,
0.00458052,
8.62693022
],
[
0.00009287,
0.00621422,
11.34317439
],
[
-0.00004733,
0.0029279,
4.70053487
],
[
2.45303867,
1.43213361,
6.36105097
],
[
2.4533222,
1.43557455,
... | [
true,
true,
true
] | Al7Ga5O18 | Al7Ga5O18 | A18B7C5 | [
"Al",
"Ga",
"O"
] | [
0.23333333333333334,
0.16666666666666666,
0.6
] | [
31,
13,
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31,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 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_4877491785500101757016775 | 4877491785500101757016775379353742627644120173428740160610739131446525409072890831502438681364220673501357597452908756823962777052823738681780544517723154 | 2025-04-16T18:29:07 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 1.4677 | unknown | 0.16556 | null | null | null | null | null | CO_6393982882415496243616413 | 6393982882415496243616413580410765358182484397824897095163265297955994458851641463557916635746688293469464224289581577086283771559942580798678008647929772 | 4407163626533441723320126000656094656055725996101286179258974369790704147098277373688197599856805229576158424908353750190160534144763563160654008022446035 | [
[
5.81464714,
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[
-3.41922764,
5.55242291,
0.15725421
],
[
0.39588789,
-0.21448212,
15.03500799
]
] | [
[
0.02020811,
0.12051202,
2.03042801
],
[
0.0865126,
0.04110282,
12.94472708
],
[
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[
0.30271124,
1.95447164,
5.50159329
],
[
0.46055203,
5.29673092,
5.21842791
],
[
1.47508492,
1.40739116,
... | [
true,
true,
true
] | Al9Ga2In5O24 | Al9Ga2In5O24 | A24B9C5D2 | [
"Al",
"Ga",
"In",
"O"
] | [
0.225,
0.05,
0.125,
0.6
] | [
13,
13,
49,
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49,
31,
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8,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 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_4875126794452357830768426 | 4875126794452357830768426965614028285034002526199587068011872325518018270927781766773918447176105114803459168117782325493699825363576803153889369588273016 | 2025-04-16T18:54:02 | DS_of1clsgf4nab_0 | 1 | FHI-aims | DFT-PBE | null | [] | [] | null | 3.8397 | unknown | 0.04636 | null | null | null | null | null | CO_8335888283991052884197895 | 8335888283991052884197895540756200048273449308795886339394542479404059014105394473791597615178725893983932589865566833216787116172241304854787791883172268 | 1143485230599294485088097972879850488347282362950196723343752192415760019812424358152508145588470725725211075966865123184917333713173508846097214406026874 | [
[
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],
[
0.03411329,
8.52545212,
-0.03789852
],
[
0.06915731,
0.03589668,
9.10762363
]
] | [
[
1.56747033,
7.32056007,
6.26681278
],
[
6.6199684,
7.23393727,
6.27213469
],
[
3.3971701,
1.32762444,
1.75293936
],
[
8.31548579,
1.29446805,
1.67711231
],
[
0.88466446,
2.96544348,
1.76658721
],
[
5.84344179,
3.02741179,
... | [
true,
true,
true
] | Al29GaIn2O48 | Al29GaIn2O48 | A48B29C2D | [
"Al",
"Ga",
"In",
"O"
] | [
0.3625,
0.0125,
0.025,
0.6
] | [
49,
13,
31,
13,
13,
13,
13,
13,
13,
13,
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49,
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13,
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13,
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13,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
... | 80 | 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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