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] | null | data/MD/4662/MD_5844551799497511121664662.json | null | null | null | {"alex_mp_file_key": "144037", "alex_mp_id": "alex<agm002307392>", "alex_mp_split": "test", "chemical_system": "Pd-Sn-Yb", "dft_bulk_modulus": NaN, "dft_mag_density": 1.6201811824806937e-07, "hhi_score": 3962.42810859683, "input": "Please see original datasets Alexandria and MP-20 for configuration creation details.", ... |
PO_1002074888423651780588697 | 10020748884236517805886974297246603308882809908886814588711198465416811487470901084857314175457338117707099184198759050948074196474986672364213793236668366 | 2025-07-10T08:24:23 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.07053 | CO_1300733385237126693603070 | 13007333852371266936030706978140781134664037724749898054698274023014276756864750209642081066340175161342368934354686753779411909576385518431186306781270985 | 3636486229507859564420663067861014720966346580212776044035143257383701133275742049007116684468139167120525583289203171690108093254962829907583597289509797 | [
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[
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[
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true,
true
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"Pd",
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0.18181818181818182,
0.09090909090909091,
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59,
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46,
82,
82
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1,
1,
1
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"alex_mp_test_agm003532925"
] | null | data/MD/2582/MD_3664805484677041547862582.json | null | null | null | {"alex_mp_file_key": "39327", "alex_mp_id": "alex<agm003532925>", "alex_mp_split": "test", "chemical_system": "Pb-Pd-Pr", "dft_bulk_modulus": NaN, "dft_mag_density": 2.926190246674485e-07, "hhi_score": 3089.52600151012, "input": "Please see original datasets Alexandria and MP-20 for configuration creation details.", "m... |
PO_1002262528736377690449275 | 10022625287363776904492757905418698864965016039401319855369151624627141546574882457267663394370173981920296692442932091126591517410142520814552509288822627 | 2025-07-10T08:25:09 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.06034 | CO_5434331394817046845734238 | 5434331394817046845734238561813029666318238801526399848645239490986712450562880446004892054128695970139760363717187068140467156376321813150249333196983878 | 12453456548720861195416178464310638900336319626248458455455067084187055971289113589803825786499676107631956414310708382405810620099754446687363889499456398 | [
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[
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[
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[
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[
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[
... | [
true,
true,
true
] | Ce2Cl8Cs2 | CeCl4Cs | A4BC | [
"Ce",
"Cl",
"Cs"
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0.16666666666666666,
0.6666666666666666,
0.16666666666666666
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55,
55,
58,
58,
17,
17,
17,
17,
17,
17,
17,
17
] | 12 | 3 | 3 | [
1,
1,
1
] | [
"alex_mp_test_agm003739775"
] | null | data/MD/0737/MD_9378349728985650583460737.json | null | null | null | {"alex_mp_file_key": "40093", "alex_mp_id": "alex<agm003739775>", "alex_mp_split": "test", "chemical_system": "Ce-Cl-Cs", "dft_bulk_modulus": NaN, "dft_mag_density": 0.0045302235081122, "hhi_score": 3482.14519534026, "input": "Please see original datasets Alexandria and MP-20 for configuration creation details.", "ml_b... |
PO_1002260517346568403895703 | 10022605173465684038957036834511714065904572442301050784704378259471965820529350894321048285245412440734340659124574393085826855323505286477723915941519556 | 2025-07-10T08:07:34 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.084474 | CO_7579873490112303448338949 | 7579873490112303448338949362204668403657514302693589875935948012297121266974733611047121122733831728975773630287309513893909170483972607354333440363869403 | 11815867810761714585815571877249971764489935425509479221040402200868660355510406544531350736762041954073385840478054503367675661548024849056930191809990542 | [
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[
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[
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0
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[
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[
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[
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8.907840063134085,
6.390366180664135e-17
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] | [
true,
true,
true
] | AgErInPt | AgErInPt | ABCD | [
"Ag",
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"In",
"Pt"
] | [
0.25,
0.25,
0.25,
0.25
] | [
68,
49,
47,
78
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1,
1,
1
] | [
"alex_mp_test_agm001298711"
] | null | data/MD/1026/MD_3539866191129596791311026.json | null | null | null | {"alex_mp_file_key": "507671", "alex_mp_id": "alex<agm001298711>", "alex_mp_split": "test", "chemical_system": "Ag-Er-In-Pt", "dft_bulk_modulus": NaN, "dft_mag_density": 1.680054265378278e-05, "hhi_score": 4571.427853515688, "input": "Please see original datasets Alexandria and MP-20 for configuration creation details.... |
PO_1002260798658501381136014 | 10022607986585013811360141932992713403324191209641228153571532553962518625693994157645241593663231289798845229793034449772416470745959807814949653667569988 | 2025-07-10T08:21:11 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.039282 | CO_3363320462145635423283284 | 3363320462145635423283284029106147552913441642209012870003749421597775028309798292885668425737966532772990314877676452708986575401953184092750034084912641 | 4793848817662001858263321738063828686273803419739946687051216699449880743049819069503217464515583100250462598271714449788062460978037805627373630524335394 | [
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[
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[
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[
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[
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[
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true,
true,
true
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0.6666666666666666,
0.1111111111111111,
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80,
52,
52,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 18 | 4 | 3 | [
1,
1,
1
] | [
"alex_mp_test_agm005078540"
] | null | data/MD/8173/MD_8568694752675035192228173.json | null | null | null | {"alex_mp_file_key": "572185", "alex_mp_id": "alex<agm005078540>", "alex_mp_split": "test", "chemical_system": "Hg-O-Te-Zr", "dft_bulk_modulus": NaN, "dft_mag_density": -7.011565863318681e-05, "hhi_score": 2972.872879553847, "input": "Please see original datasets Alexandria and MP-20 for configuration creation details.... |
PO_1002216334062317919644296 | 10022163340623179196442960126640861630836908865157764677513295847601899554279339738865642966890179668480511625078727695424889089669349040330882650454243788 | 2025-07-10T08:23:31 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.099354 | CO_1651598421148394263330549 | 165159842114839426333054996607122659726013248254673749172159776464216823990600302278357551521815307802100115698394143799548510833093547299222762877001008 | 4901176061861574918646354408865586698561571278616977154918432336121653719412400693880202471321404810233869273704950520896326976120309334248692971934066627 | [
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[
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[
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10.45596525
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] | [
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[
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[
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[
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[
2.... | [
true,
true,
true
] | Si6Tm2 | Si3Tm | A3B | [
"Si",
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] | [
0.75,
0.25
] | [
69,
69,
14,
14,
14,
14,
14,
14
] | 8 | 2 | 3 | [
1,
1,
1
] | [
"alex_mp_test_agm002318520"
] | null | data/MD/8217/MD_7944307733896713455778217.json | null | null | null | {"alex_mp_file_key": "17426", "alex_mp_id": "alex<agm002318520>", "alex_mp_split": "test", "chemical_system": "Si-Tm", "dft_bulk_modulus": NaN, "dft_mag_density": 0.0004261263119033, "hhi_score": 2401.164525349291, "input": "Please see original datasets Alexandria and MP-20 for configuration creation details.", "ml_bul... |
PO_1002264021872264070906877 | 10022640218722640709068779027261196929191207920677987723525472045877043665645748204831740861188848456273139418067844169809576929563175067789944438108017334 | 2025-07-10T08:23:34 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.091171 | CO_1164728924716634071472587 | 11647289247166340714725870321057778232025696852717988298592898483015180073032189650923144954731093797314634352307964655946850105760045721748406496004348657 | 5847459221731494465432667839750254395748494329799865399116479415921105651105983829531136551266178196316050918209293275467322075648526673089739652410433696 | [
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[
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[
0.8122592254113141,
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] | [
[
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[
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[
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[
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true,
true,
true
] | Cd4Na3Sn4 | Cd4Na3Sn4 | A4B4C3 | [
"Cd",
"Na",
"Sn"
] | [
0.36363636363636365,
0.2727272727272727,
0.36363636363636365
] | [
11,
11,
11,
48,
48,
48,
48,
50,
50,
50,
50
] | 11 | 3 | 3 | [
1,
1,
1
] | [
"alex_mp_test_agm003377887"
] | null | data/MD/6534/MD_1274900055873686760686534.json | null | null | null | {"alex_mp_file_key": "158567", "alex_mp_id": "alex<agm003377887>", "alex_mp_split": "test", "chemical_system": "Cd-Na-Sn", "dft_bulk_modulus": NaN, "dft_mag_density": -0.0002404986543892, "hhi_score": 1387.851691709356, "input": "Please see original datasets Alexandria and MP-20 for configuration creation details.", "m... |
PO_1002244024338867560259316 | 10022440243388675602593163221604159122826608872869882395610866299259504941484834816906057889953837206546675082081699712695591876362762542267958728876926563 | 2025-07-10T08:25:07 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.085734 | CO_5016415148142188143632295 | 5016415148142188143632295352037909195702336482140197931543327248133843102242759690251503608453848109906095712173153094903919230661072321696243698374419579 | 824826000963489365437572562027779622900799248532479061272140821804518465737967572387606165358527379363752019607605987387739416044934939291955371611664116 | [
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[
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[
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0
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[
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[
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[
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[
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true,
true,
true
] | Mn2N6Yb3 | Mn2N6Yb3 | A6B3C2 | [
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] | [
0.18181818181818182,
0.5454545454545454,
0.2727272727272727
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70,
70,
70,
25,
25,
7,
7,
7,
7,
7,
7
] | 11 | 3 | 3 | [
1,
1,
1
] | [
"alex_mp_test_agm002223761"
] | null | data/MD/1362/MD_1286467005160259735621362.json | null | null | null | {"alex_mp_file_key": "496495", "alex_mp_id": "alex<agm002223761>", "alex_mp_split": "test", "chemical_system": "Mn-N-Yb", "dft_bulk_modulus": NaN, "dft_mag_density": 0.0164256655841563, "hhi_score": 2593.2327539738544, "input": "Please see original datasets Alexandria and MP-20 for configuration creation details.", "ml... |
PO_1002170676667174625636099 | 10021706766671746256360990583523449172055101202083188958269623805749964500692168315514867133728018204327578047766884052463460039295108020768465080949009585 | 2025-07-10T08:07:32 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.024267 | CO_1066972914105904832383486 | 10669729141059048323834864140219433497876627145986718459701797939751139180843680066377104708193111062555898089861585419647410828613672571995028862307502133 | 261334984535035264470053178903086638001023389223171930625341478384589375353419011702490782093095545336387339620327691008782162649182536463488694699081952 | [
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[
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3.66262222,
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[
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]
] | [
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[
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[
0,
0,
6.3108636101214195
],
[
0,
0,
2.447273284037833
]
] | [
true,
true,
true
] | AuNdTbZn | AuNdTbZn | ABCD | [
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"Nd",
"Tb",
"Zn"
] | [
0.25,
0.25,
0.25,
0.25
] | [
65,
60,
30,
79
] | 4 | 4 | 3 | [
1,
1,
1
] | [
"alex_mp_test_agm005185994"
] | null | data/MD/0655/MD_1194052570135871935480655.json | null | null | null | {"alex_mp_file_key": "500545", "alex_mp_id": "alex<agm005185994>", "alex_mp_split": "test", "chemical_system": "Au-Nd-Tb-Zn", "dft_bulk_modulus": NaN, "dft_mag_density": 0.0002198138778735, "hhi_score": 2229.826263636766, "input": "Please see original datasets Alexandria and MP-20 for configuration creation details.", ... |
PO_1002104833797650644423741 | 10021048337976506444237419901924591170863434883524237786689479570618538255412315977411848054760603444071495353221899681821653587130041551081473989888416388 | 2025-07-10T08:13:08 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.045723 | CO_5414057289078489491935284 | 5414057289078489491935284183596069053119274405199808354733152982290480992199732726844031262143778072629776877799114252768004118270789310797703989485801192 | 2150819974033127312931998243127143144064865510867185828852857537337956967847406301820865291184431054080965832154481770808811692511109726063596939710987443 | [
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[
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[
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0
]
] | [
[
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[
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[
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[
2.220446049250313e-16,
2.9432295139184657,
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]
] | [
true,
true,
true
] | LuNiTmZn | LuNiTmZn | ABCD | [
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"Ni",
"Tm",
"Zn"
] | [
0.25,
0.25,
0.25,
0.25
] | [
69,
71,
30,
28
] | 4 | 4 | 3 | [
1,
1,
1
] | [
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PO_1002145811673990016523237 | 10021458116739900165232375320634602869719176757575717655892473095803363422191204312631788851581761537387192560694046730508027094572568600010209777817328849 | 2025-07-10T08:13:08 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.014449 | CO_5080900533629375826664628 | 5080900533629375826664628490506184716622887925307501233979323267241203918495380884785599846831645565058902480573564849372624645214482287738847133599007788 | 712721812028187360538849412750752243978373755526431275863979279783760465172544974959473221116390438180849979638847183113708036984063437846145893206349603 | [
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PO_1002144002283156075572223 | 10021440022831560755722233301532850818985285495464196773901127555877557272589225267749708076884057355417526003247094081734481394741231164986072532882874547 | 2025-07-10T08:13:10 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.025246 | CO_2880821958081665732876577 | 2880821958081665732876577629165498927967279259854613948855502847709969837444365503262331206029434265116946053717552040528088742629470189092750480098587513 | 12929684999800218291196974357006182297242955490513866252609488913118595401201283000638023788676367100556670915130365485691871008855251235129010970048274789 | [
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true
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PO_1002136557825641258452233 | 10021365578256412584522337213629246119027118104085676309408423804999603164421738398412707401416207919056921638005412887365018269498721806918294469449559735 | 2025-07-10T08:16:54 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.024697 | CO_3911055415095566326807849 | 3911055415095566326807849003760528362486049463350545837051064501653595630036571633262815937254478944462408259928307573777297621881486958183094150378421559 | 10777665727589638395671519476562584789417127388248940644683499643168868093918250076056641477363458819168778958035761163549094775365377787127147015106453992 | [
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PO_1002115459147380106430913 | 10021154591473801064309130266207909855504988858531891540954253085021029506888563827957137806116660876888303210419352310041843288049049110274361544762657717 | 2025-07-10T08:16:55 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.024442 | CO_1144489666633091911721243 | 11444896666330919117212431698523841631155108123557653419148118612702800653713654031398757529834453184856570106148312929456845899767180783927624702666574027 | 5051523161826468997148205755720517976335464424095799604530488569720547012830225547635207685452521232462515366798705986945872675777058932681480036662923915 | [
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[
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true,
true
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PO_1002125200335170539770550 | 10021252003351705397705506634220337714750998130617963459354733521860208637670147591025655888961240204867207950642886081261705357519205441608253179957160944 | 2025-07-10T08:16:57 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.043114 | CO_5757982373281685145497560 | 5757982373281685145497560605565254465120679969353635005094299348434681751903444887459966168686973221674159667722288732421491765142504095597103339659250273 | 13149835522661438892875306612540458998275860182262537642769738669876387200249939181512179434664996944992879327576713257854859801382966911843097367928318304 | [
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[
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true,
true
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PO_1002170479079910440299190 | 10021704790799104402991901540788822155049723622977050847614412030612347249004370209910238023716301904416925775400132779343892462702559975056172774094892370 | 2025-07-10T08:23:34 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.054233 | CO_1162420489886409692694217 | 11624204898864096926942171241680059888170788322089937662921889213869299020244643399921666446321516011387432278965862248428091968411479695123923715813522464 | 2199517984048786606994804026808694004593744368004069772136763125974413730865753377498436835229156065812529182125263851993552235621676138704573098303946506 | [
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true,
true
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0.25,
0.5
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80
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PO_1002102477222485161111730 | 10021024772224851611117302957415061279035703925217235072165485040349388953027008507379607862322976546792495704048140108692021263255888208267774878893508820 | 2025-07-10T08:24:20 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.034572 | CO_1056013601723631300113704 | 10560136017236313001137043860196189161944228041999737414355831962512815288651120453106182422219285368724967927160874270931992727831711607661776240194426675 | 4789952063533475819543263124310568021440035941283277909853779238947619099496996124970874102665772331444635504240936795667957012601390940729380566948012110 | [
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... | [
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true
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PO_1002169652220505085613879 | 10021696522205050856138790430029476921293729363102891490019133880330935104961118536111598238342784558569672404701448894532711022658044966918812988499903834 | 2025-07-10T08:24:23 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.087701 | CO_8541240524422884884714685 | 8541240524422884884714685743022196481563529915562553944526912803059030854776391970116690250490453524239116625007770484636926192872735907353693749643879454 | 245578228856140548188894592367868209587980689483178049875327278933974706696062061690842516800249173520462708960127656872922573895374627265358598220764622 | [
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true
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PO_1002359299577181464405200 | 10023592995771814644052002467024976021634779532749035805451636565835668849685537527132499873656980878897629379554354221549659882265435483423144599331930541 | 2025-07-10T08:24:20 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.071209 | CO_4232510113977495552003895 | 423251011397749555200389578754533133689376177263912757449487052034075567494764291022150514859174455837047491243468968218246174161888719962477465452790105 | 853042833675497873542734026950274063521809334225884072199533855680200584830192818217328915201073274855728476785959465444749172509815063492906740174218035 | [
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[
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PO_1000852683271876133262538 | 10008526832718761332625384934899412842663642729267428834212105394444657479039662246734933008608185284483660722176120878704280829860274081291472923528987274 | 2025-07-10T08:07:32 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.033208 | CO_2151373628216421709445573 | 2151373628216421709445573098652214800790525748925197933330892387878718581729867095146482635410377073849121081507480453185988057205633212478075293246501022 | 6158603204179261047383790328015773648445864849954547787591434666482309523389715083189193942855978985952188374130350292037398564213466939090992505759414491 | [
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PO_1000895959737880394518023 | 10008959597378803945180233058541072140128787041920709789565452284766978776955427578427015258650416877266459033212275821818330836448481195219248790446161619 | 2025-07-10T08:24:24 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.012552 | CO_1126648255357194590209127 | 1126648255357194590209127846511321700445595068990114763245726656507728586415930144310825831604827711093762627564543433452321419298434548903377472746002321 | 470474828580687488508268238661373775317247560601082231202238174723513424241885540694103005817505692426821299910124211163288609772097317940914838437949013 | [
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[
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true,
true
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true
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PO_1000992236200034634753232 | 10009922362000346347532323736842103897077824616741025781560315876733377835628725059175907320324673073219807090614439641334743244417326692424436402881409921 | 2025-07-10T08:13:08 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | 4.5851 | unknown | null | null | null | null | null | 0.039638 | CO_2695598060445718642098411 | 2695598060445718642098411442614461115386743086763645986927365095536324296070547972424209637212998834222564034949198329000309198348397516112620102671676114 | 6700397788248146165969715521570927790484830349958207933223829288049731302571620032665195942272453901272063850666835156339098743248539713731037052865277010 | [
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[
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true,
true
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PO_1000921177354294214814234 | 10009211773542942148142341668078654229553726695155843289249559130961411186776614420900942322193333507079820627307104143098826962625540085947930903201169754 | 2025-07-10T08:16:54 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0 | CO_4577740396254340233213687 | 4577740396254340233213687858879273988180403073373582038836843030672793054894980179229583637509318151075637644212828995917444977951410066327748419583537939 | 6423562688304161990820360978131794951073310438069228855952184968497301309337423818076900543466316851918938885650060653592576854490180192817971668210448952 | [
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[
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6.5997571... | [
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true,
true
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] | [
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true,
true
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81
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[
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PO_1001063647800087806360228 | 10010636478000878063602284585392411575566501197095156335969096324776135344986776170701519281196575140361691836321135432234283956809856841726458535622056248 | 2025-07-10T08:07:34 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.053141 | CO_1165081948553666106158916 | 11650819485536661061589165939628510635458847165862943228948139807997524159520259920765240120683727547243842190136700293243212592603690750139580906767072166 | 6456745583836332404332702044678475681290875853582314702319873284029533860508505741085453779400885726126240819736059887074562909587983789523430460062762313 | [
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PO_1001017928295083724191305 | 10010179282950837241913056556757736357722640065867869778028552376954073829816086894446252577976573645313700565003488453858009320937292450577775693227580449 | 2025-07-10T08:21:09 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.003063 | CO_8164890533358236867676585 | 8164890533358236867676585148224586761870579835100367863156979271693159610095950034408192961454174824247080987666993544466636667950999664112164605472710738 | 5762237202258132825718068737179516732139453848049292466491129491052304234183961292503878038154379410529905390045281785136359763450845519769126334398139168 | [
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] | null | data/MD/6572/MD_1320237927527511325016572.json | null | null | null | {"alex_mp_file_key": "15145", "alex_mp_id": "alex<agm002994959>", "alex_mp_split": "test", "chemical_system": "Cu-Mg-Zn", "dft_bulk_modulus": NaN, "dft_mag_density": -0.0001162028670761, "hhi_score": 1599.2938008256117, "input": "Please see original datasets Alexandria and MP-20 for configuration creation details.", "m... |
PO_1001167652613258087339400 | 10011676526132580873394008407863772365619982752862602366733467937291171575128750104379039592691392617500987024974762113539094013950226827945921450020074363 | 2025-07-10T08:23:34 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.071287 | CO_6488101690545018345891098 | 6488101690545018345891098776556158439610616321426097641270492295965954309244583149570067293252371513022692287005287078497142984839887067529431940772487101 | 7872453178879817818805656516208423607033072479239493610844363342888980407043648810014036229481337273981816166025155853601761815028539494571577950666816242 | [
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[
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[
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[
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[
0,
0,
0
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] | [
true,
true,
true
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"Rh",
"Sn",
"Zn"
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0.25,
0.25,
0.25,
0.25
] | [
30,
28,
50,
45
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1,
1,
1
] | [
"alex_mp_test_agm001333593"
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PO_1001253070016892835264322 | 1001253070016892835264322044774521424277068765714292795638928922438709186508948378780937584015236426726173702469265589629120449553124052667875677483848948 | 2025-07-10T08:23:30 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0 | CO_7802088121609679066073944 | 780208812160967906607394429172441457760895369120832830664983011088506811396881580839313818504495849935867529160424181852924046894923464409017440429794246 | 1699510816708143452921782989082729891534586344099486880982860144517949287572657515253054110350373006844290698082629894706915106937064344514455175306552551 | [
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[
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0
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[
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[
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[
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0,
0
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] | [
true,
true,
true
] | AuHoInLi | AuHoInLi | ABCD | [
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0.25,
0.25,
0.25,
0.25
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3,
67,
49,
79
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1,
1,
1
] | [
"alex_mp_test_agm001373274"
] | null | data/MD/6081/MD_1190017741667331655436081.json | null | null | null | {"alex_mp_file_key": "280741", "alex_mp_id": "alex<agm001373274>", "alex_mp_split": "test", "chemical_system": "Au-Ho-In-Li", "dft_bulk_modulus": NaN, "dft_mag_density": -3.310005576230908e-05, "hhi_score": 1999.43551395484, "input": "Please see original datasets Alexandria and MP-20 for configuration creation details.... |
PO_1001292277170279090106283 | 10012922771702790901062834180641450266943364544140062841225652590512134025341474622381894771878243257814510972919549580874057089021409205508415579411034690 | 2025-07-10T08:23:32 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.089115 | CO_1330979425931417915943549 | 13309794259314179159435494587540120864596044717752876787756745527499104194857947936275337417705287166223830970472594387158448102491920595630925466955158726 | 9304789546582775392323460813169663475742224513847062258615344208371162959976805483132442103123862293791056911367980168100914229371809453381640210584569441 | [
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[
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[
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... | [
true,
true,
true
] | In6K2Pd | In6K2Pd | A6B2C | [
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"K",
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0.6666666666666666,
0.2222222222222222,
0.1111111111111111
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19,
19,
49,
49,
49,
49,
49,
49,
46
] | 9 | 3 | 3 | [
1,
1,
1
] | [
"alex_mp_test_agm003507033"
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PO_1001396599565994449700883 | 10013965995659944497008835798767057164822541323316121966181203216018772415793286775555540165763312068999691443004678303852070186257957536111257608419443141 | 2025-07-10T08:07:33 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.092286 | CO_4745835004896273037009070 | 4745835004896273037009070309179266716181500509805021212477318641659943032830285590551588452318896554568757417769069366967642199458289591084582284394309113 | 126633676652447319092800528223842629188627614503541647219521693442921706473061490012190004912721298961761048658402367868344879378487967053541418861314617 | [
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[
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[
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] | [
true,
true,
true
] | CrF3Rb | CrF3Rb | A3BC | [
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0.2,
0.6,
0.2
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37,
24,
9,
9,
9
] | 5 | 3 | 3 | [
1,
1,
1
] | [
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PO_1001331585279537221718527 | 10013315852795372217185272539866555149803054557774403988732896553193796172653424188543841318914967321082390990233585136945583555918460933278075119589696728 | 2025-07-10T08:07:33 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.09796 | CO_6587375259525358670515721 | 6587375259525358670515721617723326075375142416635104447460405283493704248451650570821424038406342663247478739161451502422226142001735429209227917663102393 | 4833587848545626841081897857996312120481785307711989305226285328150417838124809186148941047315223573044865419715757033855672875965053013448600435770612036 | [
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[
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[
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[
4.440892098500626e-16,
8.499062595112397,
9.229452591075216e-16
]
] | [
true,
true,
true
] | BiCuLiPd | BiCuLiPd | ABCD | [
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"Li",
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] | [
0.25,
0.25,
0.25,
0.25
] | [
3,
29,
83,
46
] | 4 | 4 | 3 | [
1,
1,
1
] | [
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] | null | data/MD/4155/MD_8370720626997170630854155.json | null | null | null | {"alex_mp_file_key": "550666", "alex_mp_id": "alex<agm001342871>", "alex_mp_split": "test", "chemical_system": "Bi-Cu-Li-Pd", "dft_bulk_modulus": NaN, "dft_mag_density": -1.1140564155210449e-07, "hhi_score": 5778.145645595061, "input": "Please see original datasets Alexandria and MP-20 for configuration creation detail... |
PO_1001319497496567929835380 | 10013194974965679298353805832212087642472611897309640717057538050332606542439555726490010959221412528943886344981610694051022571055294193920139452627560505 | 2025-07-10T08:13:07 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.019034 | CO_9344028632787484336287469 | 9344028632787484336287469076996227491073444685053434061994529889920501558933875373350286251272868895861201312265041516692677062664675904478617936538261012 | 12975811791690272674333531798749868706324685303201728914071168126641215115629612999627767929391910014822306842610848466092276972020102169462002934304398313 | [
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[
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] | [
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[
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4.025139561814687
],
[
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... | [
true,
true,
true
] | CrF6Mg | CrF6Mg | A6BC | [
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"Mg"
] | [
0.125,
0.75,
0.125
] | [
12,
24,
9,
9,
9,
9,
9,
9
] | 8 | 3 | 3 | [
1,
1,
1
] | [
"alex_mp_test_agm002389632"
] | null | data/MD/4092/MD_7566826848386412432054092.json | null | null | null | {"alex_mp_file_key": "25060", "alex_mp_id": "alex<agm002389632>", "alex_mp_split": "test", "chemical_system": "Cr-F-Mg", "dft_bulk_modulus": NaN, "dft_mag_density": 0.018524920257224, "hhi_score": 2082.7104668992524, "input": "Please see original datasets Alexandria and MP-20 for configuration creation details.", "ml_b... |
PO_1001317446428752478353003 | 10013174464287524783530037742111279829002810399922121607859400598869947717710361928739987728939940859951362698268402424565819628660938117175022622806774696 | 2025-07-10T08:13:09 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.089239 | CO_6196608869627361414484483 | 6196608869627361414484483915730902813156410567231237523193858839160296252999551229818167070683649832593427064073281495972753839916842036382048065696568910 | 12750637494089311047672607280868200103732855242932584652949235188164124196674589718418977805882694547312972533843119832286328833675226501657251078236390563 | [
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[
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] | [
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],
[
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true,
true,
true
] | Au6Cd6Cs2 | Au3Cd3Cs | A3B3C | [
"Au",
"Cd",
"Cs"
] | [
0.42857142857142855,
0.42857142857142855,
0.14285714285714285
] | [
55,
55,
48,
48,
48,
48,
48,
48,
79,
79,
79,
79,
79,
79
] | 14 | 3 | 3 | [
1,
1,
1
] | [
"alex_mp_test_agm003548318"
] | null | data/MD/6310/MD_1143600686156767862336310.json | null | null | null | {"alex_mp_file_key": "233993", "alex_mp_id": "alex<agm003548318>", "alex_mp_split": "test", "chemical_system": "Au-Cd-Cs", "dft_bulk_modulus": NaN, "dft_mag_density": -5.8000486939823065e-05, "hhi_score": 1721.649031259925, "input": "Please see original datasets Alexandria and MP-20 for configuration creation details."... |
PO_1001318856202084834071782 | 10013188562020848340717823076060622094555353073190947228239202770082649359051285605942714805894800027298431454058277025193199727427318297891362379027961199 | 2025-07-10T08:16:57 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.029683 | CO_1757946664084970297416938 | 1757946664084970297416938286462802110463236986925618673342709840453993593287143694640940379090080927104958470260333263853786464473412953486459844790121780 | 8256645080689018390708942876617950832334202546063538075509769884757557595937127618407325888485446023842756967867066565657958088450442014900266530020410320 | [
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[
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] | [
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[
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],
[
0.11892185397551686,
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]
] | [
true,
true,
true
] | Ni3Rh | Ni3Rh | A3B | [
"Ni",
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] | [
0.75,
0.25
] | [
28,
28,
28,
45
] | 4 | 2 | 3 | [
1,
1,
1
] | [
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] | null | data/MD/7968/MD_6859042972739064475987968.json | null | null | null | {"alex_mp_file_key": "87034", "alex_mp_id": "alex<agm003190810>", "alex_mp_split": "test", "chemical_system": "Ni-Rh", "dft_bulk_modulus": NaN, "dft_mag_density": 0.0557222605958989, "hhi_score": 3897.562849995538, "input": "Please see original datasets Alexandria and MP-20 for configuration creation details.", "ml_bul... |
PO_1001319258226125223516193 | 10013192582261252235161930445104223897937717635889534901443639050117480913568957628640880302727536045699528176475613931422059209429424733193066216751936467 | 2025-07-10T08:23:30 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.001202 | CO_9140491789389260468398884 | 9140491789389260468398884261650791964266769771613393259635714381279882814468237981505784461883617014021330118621502758865759652697959710335351263759626182 | 7432258703036679524616052432655814275420123154565137994405095554080450635914467736971062441046557319824359030498599366182100253984817393629432565672827880 | [
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[
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] | [
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[
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0.920612720774... | [
true,
true,
true
] | Ca3Hf2N6Zr | Ca3Hf2N6Zr | A6B3C2D | [
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] | [
0.25,
0.16666666666666666,
0.5,
0.08333333333333333
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20,
20,
20,
72,
72,
40,
7,
7,
7,
7,
7,
7
] | 12 | 4 | 3 | [
1,
1,
1
] | [
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PO_1001365796392303949933810 | 10013657963923039499338107590549776889343951960731067236423860445310746191907111487829902396020320046908769754840231261642350679260501567330389145718769833 | 2025-07-10T08:24:22 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.027475 | CO_1194862211434990329496543 | 11948622114349903294965434524044440421246580270322970348646458261100370493109881852959802275425526614427403670433385077902135069234045920392296576610808028 | 7927133561286250644187224028989534286055444875813234662430366353309939277466674163820892599168800039624289711093536391428372242965688170574783799843111589 | [
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PO_1001334744149490669598031 | 10013347441494906695980312391698181700717112184216286361955826573252015987074516418506305661147236756332489223678462648855228609445130453652361888921842421 | 2025-07-10T08:24:24 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.044696 | CO_2741417977712719819439288 | 2741417977712719819439288157231092393750979139969305841549485721182114609256896844025544123883698935446394997687339295792124145342506526664138115642625755 | 4412070615178259207898860434844693765525511159821211406952960091114805848909073040651969618489510797910929589366235942361410571951518180156615760803335848 | [
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PO_1001366267474028034886160 | 10013662674740280348861609717139128153780382016262202046904294708592449040639225656381774248064428949686767420639012967885247050074512734585424831585646943 | 2025-07-10T08:25:08 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | 0.0375 | unknown | null | null | null | null | null | 0.071431 | CO_3703546504813534552152057 | 3703546504813534552152057366919701525818748107005562808504911543404948141231127454763185895013536468865187505827551249734048619223477612235353195792376666 | 7894425410216950286936523200099759888092576737795354238298422551041590216637824329013118574633306954883612768969170243152351693471229459777323763827907089 | [
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PO_1001440193097748241985001 | 10014401930977482419850010862244682431869244117586401637037712297063612770634708336746169386089328957857448142077745919722344186969739261392814425810587071 | 2025-07-10T08:25:10 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.036942 | CO_8510214982061862032367126 | 8510214982061862032367126620091995223859299817604116511000889341217196696588709879339582677941804312089442389070436748025130793580251807214335279970341485 | 4267361082933454428746006487165669876483404422380828945198137362862483352639131406956116032474018474193614159061328936654315181906977412598869763357505608 | [
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PO_1001412034955801122958816 | 10014120349558011229588169715081066222808893771477571798445911006976503136041775573150097693281245705469838408165191035487448901960471259026100902179936339 | 2025-07-10T08:16:53 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.094376 | CO_4622960061527144205299612 | 4622960061527144205299612214622810771826813023928015708750463944501605499702806883429062894168522032650788952412924665564619771758065367101613243566319117 | 5320031807343730054876708263131634607065771256713473521200646802735576697480496977463590819882686130997869582903927775572412927640664230824985844320690836 | [
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[
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PO_1001464909725451764519481 | 10014649097254517645194816031613083771075863487829844021461543404759549257539693266754964584458340283993909389632277435901628177088805026625542214606315438 | 2025-07-10T08:16:54 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.086166 | CO_4217851094297860026757130 | 4217851094297860026757130923746187335439696152440844452936410909115328746352919422396033232961994707457577813934954902746592333043926414136446082565338424 | 8661826538320067765884836581746782647405701140157420518988216557743034891718806135778216102082230973736962514129483768000820156116058528920227761701418413 | [
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2.1... | [
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PO_1001421049269031659461015 | 10014210492690316594610158716696496565283478537114813344970897259031823086662259453197613193573959920463670073428972413672764288963288943555432605034096591 | 2025-07-10T08:21:13 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.09843 | CO_9334568959740683966522331 | 9334568959740683966522331305577976841639298470754397343578395053911323417865161182264901035499055050535299096406438819670987668250205117209506713164033742 | 9197811965927110163848128277048672326048468280379105091263948110891442812865693313821368448354351364542943290181449578229794971288169027309637320469264573 | [
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PO_1001486248601341165367789 | 10014862486013411653677896891665783193640696691917771700145216392143929921358244204385128593518738539549892901118658588362806705663816211034524929446404888 | 2025-07-10T08:24:23 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.042644 | CO_1336191462344774769888545 | 13361914623447747698885457403857907426544609634624797982464508332963204287193036303316127242714618465736546437824507973965979022030389946281982067064296922 | 8327694918385672626268570502025654229790919416831641958799289668083363094961926150316770303897518788386667514393372361567842714596924370356386948529564115 | [
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PO_1001423396723983831326682 | 10014233967239838313266825478448326965365194170252613979276905445137821652829296489381020343071969318776947414479670465760050722383062967267170101570231255 | 2025-07-10T08:25:09 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.010014 | CO_5268897090389415975610883 | 5268897090389415975610883525177498711871684599191838490458397479366757396659561924164366865347041441901957566664153511020206748791544904573080831213610697 | 860914647110019450314014381420691574754405524804912125575034235266984878617255034595245822168305500883189891785672268250169104422395536059528276258917197 | [
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0.5
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66,
46,
46
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PO_1001500066007646517019686 | 10015000660076465170196867864758420416050826065507320946298883545564233129555466873521632151555052297374805888369112669693436027455636439914322060675001928 | 2025-07-10T08:16:56 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.017257 | CO_1112509016751219846365067 | 11125090167512198463650670767598562293124976853524015623547773079551818967111535663029619538271530334724394789819665176552219915070079708912976743098443415 | 11039946128996375054671397648559878255525011144432927577315807493859439724660958997338767944739175182254037682958199159256409604394652175862165648453087746 | [
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[
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true
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30
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PO_1001529051058450145799660 | 10015290510584501457996601586690315875213202702926781126976543762645863309479392264684024325644119661791194083717467078371753637053669268713646912568850239 | 2025-07-10T08:16:58 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.095511 | CO_6798457230583485211344450 | 6798457230583485211344450027883181679967604987270058576803872893787398743571236684839288226640917754579623157481678380869108100469406451099881280107918106 | 795597208972002002838753269717057072138111823957453357567314480476980899822709168823069950337884604742490705630908283361810388307671251922667086410431406 | [
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[
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true,
true
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53
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PO_1001516514617811103986899 | 10015165146178111039868990852643108951064074478452799587421484557788625828776750072146812725940638979409512150411015642743918621176749096865845615737554880 | 2025-07-10T08:25:07 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.088123 | CO_1092636281993250002799395 | 10926362819932500027993957023695028637868530343140916046352662836883561231084737984329731955365006480554317674839392978366898635220883183481096529748253006 | 7978007369490066053069057729637425234339185232045621160161938923657936457240814910464877012835997400802645990017519102226783581103177709896672267000570174 | [
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true,
true
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0.25,
0.5,
0.25
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73,
46,
78,
78
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1
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PO_1001646152056554787585373 | 10016461520565547875853735773088543531290366924743291625250194383511913110276826861006369840062617918973428955792503180789922752255305536996295407487554048 | 2025-07-10T08:07:35 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.069514 | CO_1296806727864110721190152 | 12968067278641107211901525722939432547553429082397550277016128650389797792879192956247758040473297221612141031779056316611547340301857843530562107492754637 | 3891704842195380765657726625552312694024847741351772575254496986835653661557051646734788723292053349042504414714935798832830931471778080823303206443663857 | [
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true,
true
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79
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PO_1001690025863238361763682 | 10016900258632383617636823991537551308310648724754702524753239698104516080033110196248510274736260982465340477453972348233275526048685783402722078760794875 | 2025-07-10T08:13:10 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.076739 | CO_2513899889424947810180178 | 2513899889424947810180178162042370086232256675162457298798460762634458697091174931343004243049930844197321581563053967157712216822137936795005297750240097 | 3416495806650738580203526104218143167209542932819717718378144706572019700536491544550906769689399815555529348618447362977087244192137464833573463759741081 | [
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[
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true,
true
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65,
49,
49
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1
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PO_1001674684564597826842710 | 10016746845645978268427103352682961342325091163256588725378047104603481257741733083468367722486812470410011604564949119721419981446209765341464256189347286 | 2025-07-10T08:21:09 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.072506 | CO_8304801013915502306437306 | 8304801013915502306437306040190111700751149365317597800164977888832307540966473422158136252537493591605732649587425797273541277583709821178600271680725849 | 9488144273351808695243780115891843377962347716784161329255354493145596643304967461299265566920505548235025849227159711283269992128544126528811449637540901 | [
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true,
true
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0.5
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45,
45
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PO_1001684327247994191633526 | 10016843272479941916335262384663623064669574139542652699922060192282040363738185314443026034133060141375147451148339048553131585039141729633486052330248771 | 2025-07-10T08:21:13 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.021968 | CO_5188122142913508923472856 | 5188122142913508923472856886834789652755000058906208734525874646812493870454368818440603877929815678941338216496626434838982143991852972569719976136404206 | 9139399655662068053080256508814390556000800292984983234928893667066466623778872231053686846204465201724096714969460729404505979058624202397224922061209333 | [
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[
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true,
true
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45
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PO_4910001711832891186667348 | 491000171183289118666734806555609823707779101815586797635520273930617755888510399156198091852358809026463088613736615013258754189694225913028397057969908 | 2025-07-10T08:13:08 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.056041 | CO_8636500672698398187900241 | 863650067269839818790024111450533273234511901984359973747620420774877756186778202135474400536691364372554931321636946025757915937390706623313443798081614 | 960781231764559663722810446359884467792489610607765592683121435505744530930221895323218027860629729579046728033228911687803163120430318559817577001494452 | [
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4.34405231,
2.659964878385083e-16
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[
0,
0,
11.44399474
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] | [
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[
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[
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[
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0,
9.980146681308062
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[
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... | [
true,
true,
true
] | AgPr2Rh4Sn3 | AgPr2Rh4Sn3 | A4B3C2D | [
"Ag",
"Pr",
"Rh",
"Sn"
] | [
0.1,
0.2,
0.4,
0.3
] | [
59,
59,
47,
50,
50,
50,
45,
45,
45,
45
] | 10 | 4 | 3 | [
1,
1,
1
] | [
"alex_mp_test_agm004525970"
] | null | data/MD/5629/MD_5783639367168603854855629.json | null | null | null | {"alex_mp_file_key": "392329", "alex_mp_id": "alex<agm004525970>", "alex_mp_split": "test", "chemical_system": "Ag-Pr-Rh-Sn", "dft_bulk_modulus": NaN, "dft_mag_density": 0.0001108631573678, "hhi_score": 4222.634358458851, "input": "Please see original datasets Alexandria and MP-20 for configuration creation details.", ... |
PO_4910464981222871050078113 | 4910464981222871050078113067966759093842850886219541792649638741780285840631743906622101678592740540592561622859317368944757176802166432256030703006894975 | 2025-07-10T08:16:56 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.036216 | CO_1256554044180561876888734 | 12565540441805618768887348828643952836920963432626874998746649080595864984592104107057724788820764748446323945296117157881829760317792227887628443390033714 | 5824178067369281242327011196318619490001617379499317960121064392373469285664718745159507023726156191194252136139804964155023791439072037822816653897174126 | [
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[
0,
0,
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] | [
[
0,
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0
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[
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[
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[
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],
[
-1.127876499624418e-16,
1.8419621076210535,
5.212315031064112
... | [
true,
true,
true
] | Bi4CaTb2Tm | Bi4CaTb2Tm | A4B2CD | [
"Bi",
"Ca",
"Tb",
"Tm"
] | [
0.5,
0.125,
0.25,
0.125
] | [
20,
65,
65,
69,
83,
83,
83,
83
] | 8 | 4 | 3 | [
1,
1,
1
] | [
"alex_mp_test_agm004849078"
] | null | data/MD/5432/MD_1093531395288407772625432.json | null | null | null | {"alex_mp_file_key": "441955", "alex_mp_id": "alex<agm004849078>", "alex_mp_split": "test", "chemical_system": "Bi-Ca-Tb-Tm", "dft_bulk_modulus": NaN, "dft_mag_density": -6.655400080515495e-05, "hhi_score": 4831.78358183716, "input": "Please see original datasets Alexandria and MP-20 for configuration creation details.... |
PO_4910343002925633294465226 | 4910343002925633294465226577221652127327351847944066857605102614345585451485972431995398461091999470239142849323837094961199676236699083005071388307233664 | 2025-07-10T08:16:58 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.036666 | CO_6924231564532613929948300 | 6924231564532613929948300585796936891527711907612940295350764137992541297125355607729209308514317440462263259433496345487502562447528470441745354329229653 | 2236638270859048788155510238730740674042325746027343690753708871589913604478303040851718964316204855044197001315033881625073147472250577799820967913796394 | [
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[
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6.282780937867045e-16
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[
0,
0,
14.32735053
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] | [
[
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[
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[
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4.816299346985436
],
[
2.2778657926140204,
7.444574222437359,
2.780556054340344... | [
true,
true,
true
] | Ba4Dy2Mn2Te10 | Ba2DyMnTe5 | A5B2CD | [
"Ba",
"Dy",
"Mn",
"Te"
] | [
0.2222222222222222,
0.1111111111111111,
0.1111111111111111,
0.5555555555555556
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56,
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56,
66,
66,
25,
25,
52,
52,
52,
52,
52,
52,
52,
52,
52,
52
] | 18 | 4 | 3 | [
1,
1,
1
] | [
"alex_mp_test_agm005160703"
] | null | data/MD/5999/MD_4142004475925230860015999.json | null | null | null | {"alex_mp_file_key": "562999", "alex_mp_id": "alex<agm005160703>", "alex_mp_split": "test", "chemical_system": "Ba-Dy-Mn-Te", "dft_bulk_modulus": NaN, "dft_mag_density": 0.0121054279374514, "hhi_score": 3858.573025350338, "input": "Please see original datasets Alexandria and MP-20 for configuration creation details.", ... |
PO_4910434542009474467031796 | 4910434542009474467031796156128825253614404157879074078276881121864398690365758197645913912356829376978071723271588045919905986202771107539699147856293182 | 2025-07-10T08:21:09 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.095413 | CO_5747188122853856284671453 | 5747188122853856284671453906075061831152258322245384147005757273508743956829082976152101656403027208689995880364769418443156173051520110538614693105550799 | 8643071589706637448684880547658783093307812624410662727733645579659579748134283324788605686947129986605512029148693681470148149280965833913441317201359650 | [
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[
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[
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0,
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] | [
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0,
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[
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[
0,
0,
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[
2.01890698,
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] | [
true,
true,
true
] | LaMgSr2 | LaMgSr2 | A2BC | [
"La",
"Mg",
"Sr"
] | [
0.25,
0.25,
0.5
] | [
38,
38,
57,
12
] | 4 | 3 | 3 | [
1,
1,
1
] | [
"alex_mp_test_agm003181756"
] | null | data/MD/7620/MD_1011656577842049775057620.json | null | null | null | {"alex_mp_file_key": "13740", "alex_mp_id": "alex<agm003181756>", "alex_mp_split": "test", "chemical_system": "La-Mg-Sr", "dft_bulk_modulus": NaN, "dft_mag_density": -0.0001565091206734, "hhi_score": 2861.510155385513, "input": "Please see original datasets Alexandria and MP-20 for configuration creation details.", "ml... |
PO_4910312764953893547930465 | 4910312764953893547930465834211145388306615678695035671426586728078371527132026632966611367179078496652716630317391434042887434971282610325717011739925142 | 2025-07-10T08:21:13 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.09082 | CO_6561224324709607885150013 | 6561224324709607885150013766697818435876955063135488915321647922450785748676911429581958599556989033263612826442480782389739226934381461539583776116131622 | 5363005141833232975732498463553757619465388724550905655925347269435629544043772419105268942319928287181189130856606308828025089590932866015105244851870814 | [
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[
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[
2.3748043596816474e-16,
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]
] | [
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[
1.680729995,
0,
4.47833265
]
] | [
true,
true,
true
] | AgCuTm | AgCuTm | ABC | [
"Ag",
"Cu",
"Tm"
] | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
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69,
29,
47
] | 3 | 3 | 3 | [
1,
1,
1
] | [
"alex_mp_test_agm001265035"
] | null | data/MD/3806/MD_8940271040074794382813806.json | null | null | null | {"alex_mp_file_key": "1265", "alex_mp_id": "alex<agm001265035>", "alex_mp_split": "test", "chemical_system": "Ag-Cu-Tm", "dft_bulk_modulus": NaN, "dft_mag_density": 3.425616316621898e-09, "hhi_score": 2262.477239132688, "input": "Please see original datasets Alexandria and MP-20 for configuration creation details.", "m... |
PO_4910475435639453983126767 | 4910475435639453983126767517003426958433307121654209716509917455820253142477076008052174310602029657528911893031162711643519354425993699422356894190498446 | 2025-07-10T08:24:21 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.097124 | CO_6137725244388183028371185 | 6137725244388183028371185465672904482381394084201168789377232036546070048970493330989958539272310725735715114228149406946057389168387996315803306906106665 | 11303289269838271473618208002051608096427028853072753123265806299672515630159998627904505727796633891317083237590873616054856132182658590761858298516050327 | [
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[
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3.45559697,
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],
[
0,
0,
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] | [
[
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[
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1.727798485,
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[
0,
0,
5.796287037230983
],
[
0,
0,
1.6292279327690173
]
] | [
true,
true,
true
] | Ag2MgSm | Ag2MgSm | A2BC | [
"Ag",
"Mg",
"Sm"
] | [
0.5,
0.25,
0.25
] | [
62,
12,
47,
47
] | 4 | 3 | 3 | [
1,
1,
1
] | [
"alex_mp_test_agm001133750"
] | null | data/MD/4187/MD_4815728775760039461104187.json | null | null | null | {"alex_mp_file_key": "44603", "alex_mp_id": "alex<agm001133750>", "alex_mp_split": "test", "chemical_system": "Ag-Mg-Sm", "dft_bulk_modulus": NaN, "dft_mag_density": -1.3163534988893097e-05, "hhi_score": 1998.7107115906856, "input": "Please see original datasets Alexandria and MP-20 for configuration creation details."... |
PO_4910903424253137563717058 | 4910903424253137563717058819653719505573663924829126817794936595695958232165105807992363699269967516727964015793480314894938461265482941788228743947020275 | 2025-07-10T08:24:23 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | 0 | unknown | null | null | null | null | null | 0 | CO_4711372498973852706104829 | 47113724989738527061048299770953111526462343017979367038531208543200576232996497312159054455530540499578067842295833449950127974110404148270426725418592 | 797416444427927969697345196886208962423925916723935143841632826909403294557522773813364386741640477947267171257317561615412647193269353138522602667795336 | [
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[
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[
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]
] | [
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0
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[
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[
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[
5.551115123125783e-16,
7.8005107905819555,
5.414524240077156e-16
]
] | [
true,
true,
true
] | FeGaRu2 | FeGaRu2 | A2BC | [
"Fe",
"Ga",
"Ru"
] | [
0.25,
0.25,
0.5
] | [
31,
26,
44,
44
] | 4 | 3 | 3 | [
1,
1,
1
] | [
"alex_mp_test_mp-1184055"
] | null | data/MD/9363/MD_9058697952371111509909363.json | null | null | null | {"alex_mp_file_key": "73701", "alex_mp_id": "mp-1184055", "alex_mp_split": "test", "chemical_system": "Fe-Ga-Ru", "dft_bulk_modulus": NaN, "dft_mag_density": 0.0573908841662441, "hhi_score": 5577.455234538064, "input": "Please see original datasets Alexandria and MP-20 for configuration creation details.", "ml_bulk_mod... |
PO_4902749368649702746721040 | 4902749368649702746721040897596913120603616859012545157969700690104813565806653657149006264448403275693819593515433315399166519623541952776787107608860118 | 2025-07-10T08:07:32 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.003898 | CO_2138277594858121485263523 | 2138277594858121485263523966644700709744919056022299738035643338915681808650547074304160580604269785805785135695997310302621436490014928105219637855931114 | 1074924306923159109765026176286740792313181267010149103398792802782180293506001322716681084856111182709936364697394202601456092048110200578811757429481752 | [
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[
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[
0,
0,
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] | [
[
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[
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[
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],
[
2.0638152799999996,
5.012705062234099,
3.5255711073778704
],
... | [
true,
true,
true
] | AsSe2SiTb4 | AsSe2SiTb4 | A4B2CD | [
"As",
"Se",
"Si",
"Tb"
] | [
0.125,
0.25,
0.125,
0.5
] | [
65,
65,
65,
65,
14,
33,
34,
34
] | 8 | 4 | 3 | [
1,
1,
1
] | [
"alex_mp_test_agm004814763"
] | null | data/MD/5587/MD_9462366098548968084015587.json | null | null | null | {"alex_mp_file_key": "260832", "alex_mp_id": "alex<agm004814763>", "alex_mp_split": "test", "chemical_system": "As-Se-Si-Tb", "dft_bulk_modulus": NaN, "dft_mag_density": -0.0001655355545301, "hhi_score": 2898.0723231527886, "input": "Please see original datasets Alexandria and MP-20 for configuration creation details."... |
PO_4902787220077170250343553 | 4902787220077170250343553169044767273648021047829483471597719518545074364405688774513011986421158996038236283084599363959213386325767950538059612193374569 | 2025-07-10T08:07:35 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.000026 | CO_1203184405269854492037101 | 12031844052698544920371013017493258091995010686105150480742165774424070493351541151088947323584479422939059952764943166525816940045583052290201581080000607 | 8347972519324803362719135529613802369973967270576979629660456924907121358186318388020290917345060967293475298292287488721713428639698125248863618367449984 | [
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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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[
0,
0,
4.579077865790523
... | [
true,
true,
true
] | F8Ga2Rb2 | F4GaRb | A4BC | [
"F",
"Ga",
"Rb"
] | [
0.6666666666666666,
0.16666666666666666,
0.16666666666666666
] | [
37,
37,
31,
31,
9,
9,
9,
9,
9,
9,
9,
9
] | 12 | 3 | 3 | [
1,
1,
1
] | [
"alex_mp_test_agm002148039"
] | null | data/MD/0401/MD_8178829016109265196230401.json | null | null | null | {"alex_mp_file_key": "63133", "alex_mp_id": "alex<agm002148039>", "alex_mp_split": "test", "chemical_system": "F-Ga-Rb", "dft_bulk_modulus": NaN, "dft_mag_density": 3.617011656921393e-05, "hhi_score": 3284.265189006722, "input": "Please see original datasets Alexandria and MP-20 for configuration creation details.", "m... |
PO_4902080195038222330446929 | 4902080195038222330446929129702744654550146729199546809907462755226903315180967856849008625064595502056555668335488890941931963775873211337445424678383999 | 2025-07-10T08:21:10 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.06949 | CO_7581920022647682941725553 | 7581920022647682941725553460172192362382935447401784750980601571469190659623445475854944737140482109325624599030017591656892933276367763216508354881919080 | 6657321437500368377124997588758857317201421122272613719030979985583418993933903521975432887251787159666533434225056207077191344387476344481843187233150180 | [
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[
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[
0,
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] | [
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[
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[
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],
[
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]
] | [
true,
true,
true
] | BaIrSn2 | BaIrSn2 | A2BC | [
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"Ir",
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] | [
0.25,
0.25,
0.5
] | [
56,
50,
50,
77
] | 4 | 3 | 3 | [
1,
1,
1
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PO_4902669622147853131822854 | 4902669622147853131822854371963897202839837525615414602787462601312215269979454383552430143305286949390070410501402016329199301457034979294196327241187978 | 2025-07-10T08:21:11 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.076394 | CO_9136543465428981996397222 | 9136543465428981996397222691095354841287415607534669286694844797907775279839712799599625497514262689014801038219253251863409557786507566695597484817595351 | 5260427649166356454929526332668977290402962111462749026078220602116743536646636565703669799906903841661441454345401291439950908891993796387489011450398303 | [
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[
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47
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PO_4902463125009701047295046 | 4902463125009701047295046095641915868812315979861336887742259924083713406665404392076340437519632734761347870561015907636065283770813851417258400316536240 | 2025-07-10T08:25:07 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.063283 | CO_5890875870153159963142446 | 5890875870153159963142446474695840066949987296195218801615166402007946138231093822053619685280249738622538218872897489189459392585640153966964198103501484 | 7491897459848993182898271454684263867274161447674347700440111166907485648324540257608939329773777730566120279668015050647520681275890782408686956845009236 | [
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[
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true,
true
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PO_4904981712734023847288849 | 4904981712734023847288849563986643404720077628226544467521160980854073359043554570984824091642863896404485040003953866222973937864133088899885362638776001 | 2025-07-10T08:07:34 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.021176 | CO_1209610252340636216162817 | 12096102523406362161628171388558296900033080178537620262450195876066176600411502602502759961398397306218181456517601238253114776119758695088925831385780228 | 3279343760361208783594743726994716002613252943318462732945704827020368118890452853698178323121534762034068184106527517168750287316877627044522338844233518 | [
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[
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true,
true
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PO_4904932649090487144005649 | 4904932649090487144005649111934005161689241515064693797210381065066626903515490334111924688004268174837912600438891593809198533858177254069143164906451073 | 2025-07-10T08:07:35 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.077532 | CO_8208442341943410217562589 | 8208442341943410217562589492447201000501064834815682551699950575278106295377833985068396524433152026311729055239989379541667970717740666347470440967055103 | 10721291413591900929292953089296089868457019504357124059340120562063950130760687909808970474613696813511284424207957238360831257939723861484608087988500611 | [
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[
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true
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PO_4904209948026535984898169 | 4904209948026535984898169270090830387462828661271056804817919832936137981598138032621594236350495078758961276700975838012486273693305681754302979975472714 | 2025-07-10T08:13:07 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.077562 | CO_7731032150425524173790492 | 7731032150425524173790492657122384809835377451084130697195976305317747100023559934072521285624703440774263986756252151419119892103263193437101050855080788 | 4253369036470600043598684215797872137614334216671617961300012952422548013097194397262681859627577055661530463380703857298894959310835355455725090158340214 | [
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true
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67,
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1
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PO_4904581738851836779640602 | 4904581738851836779640602769668035561818630715225638107102179201272597538210285954920060464942648590450649883796674843458517422525999549349417313652348287 | 2025-07-10T08:13:09 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.095108 | CO_1234665254900361447656002 | 12346652549003614476560022795342497529180301772817242670327480665777594856390725315771758074272377492987821739471753826176034945136817714888585486287424068 | 6270493284285408844724885531493665180870564011115933136582693678741883694986088175724978991583468942660926959212238199228414495327797616301971288301557582 | [
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[
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82
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PO_4904231572112957395441812 | 4904231572112957395441812281407543868202979810702492577903535095564108297790319127609520875281848320714935691249125198757549948459362751952735726631456224 | 2025-07-10T08:16:58 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.034598 | CO_3385970799955451830830942 | 3385970799955451830830942344952337079973808165304189741705871880392942111902764049860675207830360166520699972606571998565275317966672400059814231836898863 | 3619288231588146340280978225360968679982631050992566295374034138659454211564216164942344274664477488653736846696820970273152836013398346296126002156617806 | [
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[
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12,
12
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PO_4904601719406696808446156 | 4904601719406696808446156367464557650909007809629286126958524446259046028571035404993115475814261761773296935201098720838645414094148963895008315081611078 | 2025-07-10T08:21:11 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.031856 | CO_1135028826631739808381294 | 11350288266317398083812946230626010903716504948840801782856864447499529581193180430528312736246648417480120982807531383377062330440158559254092793874183784 | 6465760348757623509499667182873857360474720073010703206285864108436001780569146981528587635864649954128256226894561169475406135030333132708904911318275545 | [
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[
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true
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PO_4904732314286078898170764 | 4904732314286078898170764646316708393561266328645318177332909141815396861537821249414721057715526753229140769409345494241044770282947375901644195746058736 | 2025-07-10T08:21:12 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.024893 | CO_1122622662162029006356179 | 1122622662162029006356179595513879396155240072796096929147937971254434060740994917853007853067496981932349107323245727916872171750676811040414259198206809 | 6494711528122835822980902440064835914372967956394124736707104974890797469455874407357697806956361653458601905363400495997873319301543471048594214461078144 | [
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[
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] | [
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] | null | data/MD/4509/MD_1020947730071149686274509.json | null | null | null | {"alex_mp_file_key": "230316", "alex_mp_id": "alex<agm004656058>", "alex_mp_split": "test", "chemical_system": "Dy-Er-La-Pr", "dft_bulk_modulus": NaN, "dft_mag_density": 5.155773748386124e-06, "hhi_score": 3100.0, "input": "Please see original datasets Alexandria and MP-20 for configuration creation details.", "ml_bulk... |
PO_4904086507453865691637463 | 4904086507453865691637463178891080697359831817393907921862330865570329004208380687749567048581207914181333833145287873385919584162472106417212797649099408 | 2025-07-10T08:25:08 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.000203 | CO_2946456402845419950850412 | 2946456402845419950850412467247999721269077503830680829504470176189085738588159187866435491444914257960339314056757475722883302990470674067648538834118745 | 11344509219903943255437001914227478981626516667302840570170737737627047283031576546096994685499084053949083643687459247603256215144565969697036365730701699 | [
[
3.818404681184822,
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[
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0,
1.0710004127922779
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[
0,
0,
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] | [
[
0,
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0
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[
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[
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[
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[
-5.328705375662703,
-1.007811085427... | [
true,
true,
true
] | DyHo2Se6Tl3 | DyHo2Se6Tl3 | A6B3C2D | [
"Dy",
"Ho",
"Se",
"Tl"
] | [
0.08333333333333333,
0.16666666666666666,
0.5,
0.25
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66,
67,
67,
81,
81,
81,
34,
34,
34,
34,
34,
34
] | 12 | 4 | 3 | [
1,
1,
1
] | [
"alex_mp_test_agm004638416"
] | null | data/MD/5995/MD_1331972032309680055025995.json | null | null | null | {"alex_mp_file_key": "250784", "alex_mp_id": "alex<agm004638416>", "alex_mp_split": "test", "chemical_system": "Dy-Ho-Se-Tl", "dft_bulk_modulus": NaN, "dft_mag_density": -0.0, "hhi_score": 4060.062016986653, "input": "Please see original datasets Alexandria and MP-20 for configuration creation details.", "ml_bulk_modul... |
PO_4906859723275297382623026 | 4906859723275297382623026721709914585018195818305837299879356673667487290799038338667821778208271265569621258885185060368277773116078221972631480207331726 | 2025-07-10T08:07:35 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.054501 | CO_1234615637262120541692156 | 12346156372621205416921561661428529623210055851152243086534218001465125332941452748493110570623419728776158511881769501142272039617978939748343338289429777 | 11354365389684425313726102873601646843423632333196098656801819598782466550204731631982243074653324019826783595519466370561226340339485044087550603384405253 | [
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[
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[
0,
0,
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[
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[
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[
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],
[
-2.7477276225731173,
-1.64708700... | [
true,
true,
true
] | Au4BaMg2Tm | Au4BaMg2Tm | A4B2CD | [
"Au",
"Ba",
"Mg",
"Tm"
] | [
0.5,
0.125,
0.25,
0.125
] | [
56,
69,
12,
12,
79,
79,
79,
79
] | 8 | 4 | 3 | [
1,
1,
1
] | [
"alex_mp_test_agm004804158"
] | null | data/MD/9291/MD_1744377958666306782279291.json | null | null | null | {"alex_mp_file_key": "424409", "alex_mp_id": "alex<agm004804158>", "alex_mp_split": "test", "chemical_system": "Au-Ba-Mg-Tm", "dft_bulk_modulus": NaN, "dft_mag_density": 0.0001762667965213, "hhi_score": 1445.4058322542855, "input": "Please see original datasets Alexandria and MP-20 for configuration creation details.",... |
PO_4906796995614873311314205 | 4906796995614873311314205927036876120095534849564465796519872345296311659124044696496463848719839714052478297975173245696625088448304825314791617179155946 | 2025-07-10T08:07:35 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0 | CO_1164743061987909256423917 | 11647430619879092564239170388525989908881206392125586759994285844758691065567897295199655133519362297730944809023135846072766185325644307238795858697332821 | 8490260601471429391950963485360331493643517098303011210114552951176889088520005819022681297526241376861201598855349309827999991830882252766719422728849321 | [
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[
1.1827214319717378,
4.797558028264494,
2.7651991013015356
],
[
0,
0,
5.66230687
]
] | [
[
4.004554445599275,
3.3471559193817666,
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],
[
1.140913555220751,
1.4504021088827277,
2.86760861478102
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[
0,
0,
0
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[
2.2876355338594303,
1.242313594574068,
5.720989341957826
],
[
2.8578324669605966,
3.5552444336904268,
... | [
true,
true,
true
] | Ca2Pt2Zn | Ca2Pt2Zn | A2B2C | [
"Ca",
"Pt",
"Zn"
] | [
0.4,
0.4,
0.2
] | [
20,
20,
30,
78,
78
] | 5 | 3 | 3 | [
1,
1,
1
] | [
"alex_mp_test_agm002203237"
] | null | data/MD/5632/MD_8576287744907235223015632.json | null | null | null | {"alex_mp_file_key": "463473", "alex_mp_id": "alex<agm002203237>", "alex_mp_split": "test", "chemical_system": "Ca-Pt-Zn", "dft_bulk_modulus": NaN, "dft_mag_density": -0.0001631719988319, "hhi_score": 7083.827018309496, "input": "Please see original datasets Alexandria and MP-20 for configuration creation details.", "m... |
PO_4906582946748243398558865 | 4906582946748243398558865444889631940021199859706308062632525680573764111811723237806150403212607481188128893101870362613325637576071792920239703626260424 | 2025-07-10T08:13:06 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.025601 | CO_7236682726874479968463887 | 7236682726874479968463887042723404765194782094582714868200861229316144545192966972441588159403250600045623107619902831200408456315500952395208321598296537 | 12401009393020116799290384436946726637094891093022637485616141356161260669417860911860355762333370336375719889118296695662998599330166457307854898461762762 | [
[
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[
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3.76502675,
2.305413979045831e-16
],
[
0,
0,
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] | [
[
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[
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[
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[
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0,
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[
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1.882513375,
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... | [
true,
true,
true
] | C2B2Ni2Pr2 | BCNiPr | ABCD | [
"B",
"C",
"Ni",
"Pr"
] | [
0.25,
0.25,
0.25,
0.25
] | [
59,
59,
28,
28,
5,
5,
6,
6
] | 8 | 4 | 3 | [
1,
1,
1
] | [
"alex_mp_test_agm002138253"
] | null | data/MD/3226/MD_2991240146871823806813226.json | null | null | null | {"alex_mp_file_key": "166690", "alex_mp_id": "alex<agm002138253>", "alex_mp_split": "test", "chemical_system": "B-C-Ni-Pr", "dft_bulk_modulus": NaN, "dft_mag_density": -3.801171908422795e-05, "hhi_score": 2483.923811750371, "input": "Please see original datasets Alexandria and MP-20 for configuration creation details."... |
PO_4906057757880213692034820 | 4906057757880213692034820210204151074438100293026922922048187490694191278554033235686164308549565194153307864670438585186857951229191243334758681022668173 | 2025-07-10T08:16:54 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.005927 | CO_7954645393596028300534709 | 7954645393596028300534709484677441950069183581719678242545932320356289472220850000526234734939797245830929031267847812377103627283617661378283187899020854 | 644926862840690292146209436222220248157014278852040230610202632611014572231511904249220272253047929954258076763985269883468327729604445334020987343753235 | [
[
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[
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[
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3.93931150290762,
0
]
] | [
[
0,
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0
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[
0,
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],
[
1.1102230246251565e-16,
2.954483627180715,
2.220446049250313e-16
]
] | [
true,
true,
true
] | AuCdPb | AuCdPb | ABC | [
"Au",
"Cd",
"Pb"
] | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
48,
82,
79
] | 3 | 3 | 3 | [
1,
1,
1
] | [
"alex_mp_test_agm002204331"
] | null | data/MD/2048/MD_1165381708547434314512048.json | null | null | null | {"alex_mp_file_key": "386096", "alex_mp_id": "alex<agm002204331>", "alex_mp_split": "test", "chemical_system": "Au-Cd-Pb", "dft_bulk_modulus": NaN, "dft_mag_density": -8.789669762191987e-07, "hhi_score": 1386.1633024178018, "input": "Please see original datasets Alexandria and MP-20 for configuration creation details."... |
PO_4906108482260480084237683 | 4906108482260480084237683653781993843411572118991819935208651634366405259700935617985082443688272610471743897033727432460609216363517787450056058640835943 | 2025-07-10T08:21:10 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.067312 | CO_9308898862260508517693311 | 9308898862260508517693311605408414727981806673888902826846327412029238916490686456079701235296097912455302486581085123906533087955388276802408998217039882 | 1805321508011208673584775292565420786942344120554291606638006999230828956271119602572265968745030297188046123091363982810473378263208220020732073440358318 | [
[
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],
[
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0,
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],
[
-0.36157258346359783,
3.652069317089966,
5.270022897921782
]
] | [
[
0,
0,
0
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[
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3.210976735
],
[
2.475997722316962,
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1.466303491978237
],
[
1.1939266679045182,
1.3179683435730374,
3.8037194059435455
],
[
2.6620501468002105,
0.9130173292724915,
... | [
true,
true,
true
] | LaNiP2Ru | LaNiP2Ru | A2BCD | [
"La",
"Ni",
"P",
"Ru"
] | [
0.2,
0.2,
0.4,
0.2
] | [
57,
28,
15,
15,
44
] | 5 | 4 | 3 | [
1,
1,
1
] | [
"alex_mp_test_agm005020074"
] | null | data/MD/3198/MD_1301415234152923339293198.json | null | null | null | {"alex_mp_file_key": "435897", "alex_mp_id": "alex<agm005020074>", "alex_mp_split": "test", "chemical_system": "La-Ni-P-Ru", "dft_bulk_modulus": NaN, "dft_mag_density": 0.0055648627826212, "hhi_score": 4556.474571702362, "input": "Please see original datasets Alexandria and MP-20 for configuration creation details.", "... |
PO_4906252435256811922912971 | 4906252435256811922912971213990061453486665834292567982861768880178168060214950952645909238319848447606454599293862936043525151407743330523845618448503624 | 2025-07-10T08:23:34 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.073987 | CO_5588699055762744880869396 | 5588699055762744880869396639570739993970298328126090770152984938101941761906555231570445018334092710276563111383212423455586048097270696011029938784959576 | 1934024588276582262412257435853853031986243822570796852709969133212362670308932421656420283968744790556434006674657735171214066050433453106371176767055534 | [
[
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0,
2.9880850865682045
],
[
1.7829883291805884,
5.588241817457896,
2.927087291543555
],
[
0,
0,
6.55615055
]
] | [
[
1.9131997817183362,
1.3062077130149343,
3.163799125391086
],
[
5.669322521477032,
4.282034104442961,
9.307523802720674
],
[
3.7912611515976846,
2.794120908728948,
6.235661464055879
],
[
0,
0,
0
],
[
6.422869481743879,
3.8371452321682304,
... | [
true,
true,
true
] | F6Rb3Zr | F6Rb3Zr | A6B3C | [
"F",
"Rb",
"Zr"
] | [
0.6,
0.3,
0.1
] | [
37,
37,
37,
40,
9,
9,
9,
9,
9,
9
] | 10 | 3 | 3 | [
1,
1,
1
] | [
"alex_mp_test_agm002210634"
] | null | data/MD/2227/MD_7118824132316684945332227.json | null | null | null | {"alex_mp_file_key": "141654", "alex_mp_id": "alex<agm002210634>", "alex_mp_split": "test", "chemical_system": "F-Rb-Zr", "dft_bulk_modulus": NaN, "dft_mag_density": 0.0047138157224595, "hhi_score": 4216.883204754761, "input": "Please see original datasets Alexandria and MP-20 for configuration creation details.", "ml_... |
PO_4908672860315544074999217 | 4908672860315544074999217422743094987875890854246553930266267509304196194589141882529090908248454700434292615797648565840205568989416687993714922747631311 | 2025-07-10T08:07:32 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.083824 | CO_8862338301361563505744610 | 8862338301361563505744610704810022138798459791891856653574737791080595525095512368277111793349459537618030953668173412959400204579631574532108785285876450 | 6770536142551314811916555150211730505450510230261502715857068445787415541570193329219687112660413323858736856066869201353649473081387958220163181903732062 | [
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[
0.41342222073638407,
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1.5302897425735393
],
[
-3.6766073865258755,
0,
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]
] | [
[
1.0152699741684772,
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],
[
-0.6018477534320926,
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],
[
1.8383036932629382,
0,
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],
[
-1.2591408167762148,
-3.2040767580435476,
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],
[
1... | [
true,
true,
true
] | Cr2CuPd8 | Cr2CuPd8 | A8B2C | [
"Cr",
"Cu",
"Pd"
] | [
0.18181818181818182,
0.09090909090909091,
0.7272727272727273
] | [
24,
24,
29,
46,
46,
46,
46,
46,
46,
46,
46
] | 11 | 3 | 3 | [
1,
1,
1
] | [
"alex_mp_test_agm003529459"
] | null | data/MD/7879/MD_1222413334468798680177879.json | null | null | null | {"alex_mp_file_key": "425153", "alex_mp_id": "alex<agm003529459>", "alex_mp_split": "test", "chemical_system": "Cr-Cu-Pd", "dft_bulk_modulus": NaN, "dft_mag_density": 3.781938451562213e-05, "hhi_score": 7196.564897258627, "input": "Please see original datasets Alexandria and MP-20 for configuration creation details.", ... |
PO_4908634555366766738600607 | 4908634555366766738600607006421847548503108764805208002995045655818212806538472716433181162445713697073688664431954483134674526146817524619810606092997672 | 2025-07-10T08:13:06 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.064123 | CO_1058458583305694860300096 | 1058458583305694860300096709689526178571995046074561604300423975803739705658876259235419810916781168137132139538256229232440972005101351260140363301282500 | 9762337287566037539072611564455447680201819832815215814196415787651053935085917623490152392340399912737520209570035997989308611242421548367532689389948452 | [
[
0.5952231866690616,
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1.5765261649564208
],
[
4.175634962577619,
0,
-1.5765261649564208
],
[
-0.5952231866690616,
4.132993672721036,
4.74159354504358
]
] | [
[
0,
0,
0
],
[
2.777061174238122,
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1.0372887058229179
],
[
1.3985737883394975,
1.6144223010700598,
3.704304839220661
],
[
1.1927145373116703,
-1.0332484181802588,
3.1590598549999998
],
[
2.9829204252659496,
1.033248418180259... | [
true,
true,
true
] | Cu2LaSn2 | Cu2LaSn2 | A2B2C | [
"Cu",
"La",
"Sn"
] | [
0.4,
0.2,
0.4
] | [
57,
29,
29,
50,
50
] | 5 | 3 | 3 | [
1,
1,
1
] | [
"alex_mp_test_agm002919343"
] | null | data/MD/0385/MD_1197870277810424146020385.json | null | null | null | {"alex_mp_file_key": "130420", "alex_mp_id": "alex<agm002919343>", "alex_mp_split": "test", "chemical_system": "Cu-La-Sn", "dft_bulk_modulus": NaN, "dft_mag_density": -8.96023599803822e-07, "hhi_score": 1988.6416675209944, "input": "Please see original datasets Alexandria and MP-20 for configuration creation details.",... |
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