property_id string | property_hash string | last_modified timestamp[us] | dataset_id string | multiplicity int32 | software string | method string | energy float64 | atomic_forces list | cauchy_stress list | cauchy_stress_volume_normalized bool | electronic_band_gap float64 | electronic_band_gap_type string | formation_energy float64 | adsorption_energy float64 | atomization_energy float64 | max_force_norm float64 | mean_force_norm float64 | energy_above_hull float64 | configuration_id string | configuration_hash string | structure_hash string | cell list | positions list | pbc list | chemical_formula_hill string | chemical_formula_reduced string | chemical_formula_anonymous string | elements list | elements_ratios list | atomic_numbers list | nsites int32 | nelements int32 | nperiodic_dimensions int32 | dimension_types list | names list | labels list | property_metadata_path string | configuration_metadata_path string | hash string | configuration_metadata string | property_metadata string |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
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PO_4908267686269942483558764 | 4908267686269942483558764570824519862178491622375225082500553774178345135430228828733123551038799556601707389477564699810278587701949125332514192900289352 | 2025-07-10T08:21:12 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.067441 | CO_3220638618428986066216839 | 3220638618428986066216839812479003612936627083016172851713687760438953856060328219300797653746163877696320057699604090894132369501001529652282565546912264 | 2212785443041768777849323800641330202065652434647676628950713927186464042792593764492566459223880330681585927944609292876778888852501366312891509762708244 | [
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PO_4908064088515111909584920 | 4908064088515111909584920172601556079948227991826402386893669827033619937880749019054225410620238758322588004576211595738902371491954766187268820126872735 | 2025-07-10T08:23:33 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.069122 | CO_1093724295850611180681767 | 10937242958506111806817679382695821610675598266024489893332519082033365326039455045544855982249089408713977813654414459661769089332316117253072024974424332 | 8137311268760289801296795777068084342448863781087461660548745169688172713836842899768497616300284810242124173988853417976702814953704155656944928408361658 | [
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PO_4908385691124586708342578 | 4908385691124586708342578699291801781952537349883842986938270916622644419000826233002211288212635741410998559669034091966006039679798078608082419582720013 | 2025-07-10T08:24:20 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.020977 | CO_4026634433804895091113503 | 4026634433804895091113503324407702248186935736545544941423939657908549169843521056943695411412673427632798623169261308418713328768272759622799522149192144 | 621837822453414223849821506391954124433488103282803650784016412152251415929296347835321424216313107109017466412464539654739792749695490243278848964008982 | [
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PO_4908403818208163629259635 | 4908403818208163629259635065575393085029413653358351340073698886446708264116954880856184687686003859758447418108669024486349413484074287145665233123570765 | 2025-07-10T08:24:20 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.059099 | CO_2731473240857308157731661 | 2731473240857308157731661222856845168792876042068065488705190973152570210747662242190923009464672258789346654513339307716499756682368838150575461918553713 | 4669950466453143725913290519660807946425447494591873143917736428615132750381915230902095067689783065732046731125496553635915946306546638677970821949038448 | [
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[
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true,
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PO_4909207185529447578938068 | 4909207185529447578938068103638121634533470444486105776015594203599946865909175695819431734002841021296882450286127700388225746141955278861956063109657477 | 2025-07-10T08:16:58 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.07682 | CO_2178089216752932664715449 | 2178089216752932664715449879598537521963878267021696988622994009849586378035848817933883942450179990164085582413110293468037697484836531094284373899246852 | 1972271191627460602238634519243828935561674514181804189884544178637833834849994661411967859590373862320122030084816838220826161510366958386736950819458016 | [
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true,
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PO_4909422277301396321080246 | 490942227730139632108024639404242493817104949804290037608516455436598037004389846464780370035604409063099502614922602149599745992339201361113873899598420 | 2025-07-10T08:21:12 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | 0 | unknown | null | null | null | null | null | 0.094971 | CO_1340674800768636777323317 | 13406748007686367773233173807133546522341553784053379597106561046099732616119624240877650817554834200886246031369233377197501137400679999093092213842177324 | 4413429932716200159836236868983861882261679277748964267188368428331434873506891500754852941940778509370830046036066697089961075793574889754069247485514507 | [
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PO_4912439128533976193215989 | 4912439128533976193215989247669651268695198254954384746701636355457702198543736845409219173208333471650819206612662581656945117980023933783215098896702684 | 2025-07-10T08:13:10 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.017998 | CO_4947608647109012027707259 | 4947608647109012027707259868112384814762686183226621006194109629236032406624828464688684303909519829198506493637348108855171647658341282299127749963941249 | 11531079287918734206439359310832957961180088983768042305976131601435445184668263628723361682168740557511764211971043551834385131306716858336977373254718893 | [
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PO_4912754594537815805512930 | 4912754594537815805512930539941649526481917156101325455700195520465466282575041984374334268330859688128115818221300772725496523939235438413531204290645675 | 2025-07-10T08:21:11 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.066214 | CO_9363914513550730289217921 | 9363914513550730289217921792551595267574431009931842097520275216306083419916165385785076511500240610235477769025847970435018284569947462449340444363274806 | 8496136970677412679768776150725029372568276332936014103517004380311157714954868789940734330516767761004387137980842262040655218457177023622915979806622167 | [
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PO_4913126505653781480146679 | 4913126505653781480146679348055591174872700872749267585648216131880701535519671742922128806755794307063734265398800445847902306505809870318058002615944868 | 2025-07-10T08:25:10 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.096085 | CO_3815292184305603377924044 | 381529218430560337792404418884388613281971440989068987430273746022178104222150692789543746566719336040627173981691946928333177650792332892575191103752168 | 5661385256829766144940114822460158271994395789849827474688431855237509895659159539942654728337179609957433685087250654222435792644412340110146167999143967 | [
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[
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true
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PO_4913850710813100860357140 | 4913850710813100860357140658063801271791776330364651598559952958159986000043007962633653523346330874384491699053086892378708998941279432527059637152967929 | 2025-07-10T08:07:33 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.067844 | CO_1287302050405309833882337 | 12873020504053098338823376250491832989280395055907626161827098232293077408706322677837197457036611479553286327990321368873838342055246759312196805527438561 | 184366980216278168504256785814068095187625191478603670391729611990037126785203521451363933457219357499442332422129975770180000005678432347429792894937248 | [
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[
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PO_4913302709827140553078917 | 4913302709827140553078917405610592088647902725254911524836830153594678368753683751254277830501861957161664272486922231577313057830466226999713810760634225 | 2025-07-10T08:16:54 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.086678 | CO_9429872910142007361506597 | 9429872910142007361506597379848942177192472625260053283669793592435247545742770192436932697996307884001301573865992529864854553401984928925541464578665951 | 11604434092787783016682618121504434892717677804479755918181375033664544199448564281404807573968238993814053270588310541879141131453813279901591218957279911 | [
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[
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PO_4913275912439479355472332 | 4913275912439479355472332610901033237338106645063478934441461319872680430794555124194261634731723223643660130812676349380365066206675603069506955442109391 | 2025-07-10T08:24:21 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.083493 | CO_7648238682937234407236796 | 7648238682937234407236796166455301201690066670927133224799990974975244601098529749276512477161187439532739186796791766947637732527739221696908789066202499 | 2945339374512974061766936686897529961447851536027543541205389918287889905462449724276992567016152846192199502208579141253088472559075872002172762520296206 | [
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[
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0.5
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45,
45,
79
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PO_4913130288053774268291493 | 4913130288053774268291493074170821266983752350444323524061979041947917996310466642980542677570731783275942062149612808675921751362708457759169078432506687 | 2025-07-10T08:25:08 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.053741 | CO_1317432670892144349882579 | 13174326708921443498825796786987847564166917439269025616453065442248265750700677010549847766062247649586297933695498654925275460204899999937264724551661531 | 3345626428283058137973898478201451244729954773329768679080781037966306594916027938691223832352231817780046690724482903102516411414954466367224930485984107 | [
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[
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true,
true
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PO_4913858737807050084394374 | 4913858737807050084394374212447664123404164462242637322372763341560227146596300412966500208596886524792276868973880055248894818794003926094198634206807914 | 2025-07-10T08:25:09 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.048575 | CO_7956749294744850157314935 | 7956749294744850157314935171228553908933121631775740110645631963616315530352300387792267419625071140779969111347426258553988661006594032383182241488261530 | 7263916924725956357567904821118484830232798681244007378840654121774895911975025132677513724030422269222834571892703397903962883469670033080077424546759384 | [
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[
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true
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PO_4933470676651386294053505 | 4933470676651386294053505917004315143950600198131410228138750158343758185432898054325209831422879078086884346196529798390889345266437231519037541661510613 | 2025-07-10T08:23:32 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.028227 | CO_7840598992164745518490441 | 7840598992164745518490441435906906606234639830401720510439990416769678590476200609424909659871419057415974402946256327633761116619744330209630474812106083 | 6801041561026061853322530673383976574217661339071502815835914854600569710264746591195411990493352828441301388784495312392712360703008603291577963549281969 | [
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[
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[
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PO_4933437690240711055438160 | 4933437690240711055438160191091681798119091416983090029751102864243069420232220968896771828020102895851278881122355681604408158289020571901554599428334347 | 2025-07-10T08:23:33 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.049279 | CO_3036493789948953069432118 | 3036493789948953069432118290253918653155772930984487120166777930604753064718014918845984045837566824247207604984308555868586173318902822553754559444653718 | 178715497291152169181204714666038346519155449028517702004781064446042959714006657937235965956401737613811197257141602040056656638066199574934097410728044 | [
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[
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true
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PO_4933452493661920446037240 | 4933452493661920446037240101955421215994441093556955422156447398813443234270107999359896264467744238902382782650660209455756218565804044760585942168904325 | 2025-07-10T08:23:33 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.040652 | CO_4160879528606657752921215 | 4160879528606657752921215211912855209118078827931689803691987294134756862138908279570417871092208773072157189912541215811845445962397792810783508596635610 | 7668259560374695690003260917065702850321889512874742054754327869628602127827327343278782413689008941587811145698990223866743766949665349484489311590116574 | [
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[
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... | [
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true,
true
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PO_4935443586994985261912478 | 4935443586994985261912478226134281564008166210959117688852106528098847207561213947125689452977353832224645198999210390491717401253146989833605153258065756 | 2025-07-10T08:07:34 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.006681 | CO_1178472014851252664103296 | 11784720148512526641032964908050659997766615330263356725573680369412103519476979250668224628709658914045244879609035453590905734631203104189202871293541432 | 6054746076460980098622715033674826197527440734362349513984744078683629033401712720767038806953486146493841032896189059141665452216216000939178349378712912 | [
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true,
true
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PO_4935630908647678426598142 | 4935630908647678426598142557390337528189641186707363877562051058730584859573879275728683904210078828415620141593438304453145056536673956722126215895948917 | 2025-07-10T08:21:09 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.032976 | CO_3946229693918807883843178 | 3946229693918807883843178264300208714223804261572597629253029057782040188249469255690914847085186483735218200925512586960530489165009595867552562794640300 | 6982113840692978917254735502108209596281843258690657071462711610050904358211664821786034945008133379031129219935430405163521121937331896297479137502986032 | [
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... | [
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PO_4935598107942617578535057 | 4935598107942617578535057478420717179104306923164775523578650265337384526520242755786748111055653134321570202201436059789727860180838083464806417853767115 | 2025-07-10T08:21:10 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.00112 | CO_1114638289633923991248823 | 11146382896339239912488234704047104321929223218054119521215901355409503992636695767415188434976066334747830161687616477293324712210191081472722196907236162 | 6455188308317563971832579043129191528506043420384047702899328609155210429099743138837252863265754316372163514858206384637158695242425799842346995951579114 | [
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[
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true
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PO_4935524870771373552416041 | 4935524870771373552416041593214596441472443038069275969057716989888914240129041439082406533190712214256919976682364766042799803989636482611757222478565498 | 2025-07-10T08:23:30 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.011967 | CO_3221283719310220990068830 | 3221283719310220990068830565082294695417119962517976353344180029628858191655232201171355064683191430486935264268260520717414396943129213749292852770557701 | 9502963953748112131090529570366171472396465990871305736589905890055016116376643544677388732958316058851102484238844045307713327002268824923843128699625320 | [
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true,
true
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0.2
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46
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PO_4935726208164581729126623 | 4935726208164581729126623317452282594752413184580950531323418586040770246972159503032609313622524181092257671029636833401416849842569138364576707788791054 | 2025-07-10T08:23:32 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.095631 | CO_9926159546805368208830455 | 9926159546805368208830455525517807607557397195305064441806562813982516845242028346261288809490432955628958965576822058354609002176376605482579236397084277 | 5106551026321234737598551860995258883601616729968702620801756162385196900253752472216092429008853336615983093517131857491477355898890819464036594936876345 | [
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] | [
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true,
true
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80,
17
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PO_4935262414159480632351684 | 4935262414159480632351684052269420705840879973273145407693012432393358540059996326242682779643460958100531194807260883741451522876759082377275910658260431 | 2025-07-10T08:24:24 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.027937 | CO_8187765549128087188063864 | 8187765549128087188063864427981325511505179168289058515912963592009258901871780206222846227000370401861532021878163863669553726446034379599483092093429593 | 10524493952704879523818908545877846893113682041504205775801795468657029228969132275989308388754248869724190184513088810384126341183510133783350091631487658 | [
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... | [
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true,
true
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PO_4935458490190667539191625 | 4935458490190667539191625755050317794567549037981693292903808824636460061558385879430913766310754280779868993720556452413882708552118773647591046377007191 | 2025-07-10T08:25:07 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | 0 | unknown | null | null | null | null | null | 0.008448 | CO_5877372631133611952123872 | 5877372631133611952123872956095490111310740997411931555459069736910894235888288810684173780698079429203583686303001794493251323309611093330224968845255487 | 5679569349374831823166912501605348302255576750520436502414593063034326205531208863157435321230468880142003995323669598959592125051441756988432952485645064 | [
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28
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PO_4934547844241817696375009 | 4934547844241817696375009194453672182851942098728955837064076259194452965735626363370651033787539869845875662079915360045365842786830565016893321882133296 | 2025-07-10T08:13:08 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.089571 | CO_1251164733183041376896937 | 12511647331830413768969376152474269724359007497236891472892275623102881388615610290520420209802370452693693099480420985241879562302705727565989511392097974 | 4732474672243651571428049962412094488252615503947231849033366126838929171163319703141876814856011133328164673256845688617269492477289764759918860517830401 | [
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true,
true
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PO_4934651355654088219603870 | 4934651355654088219603870327197013915203896113439476814458972319458086627009613609505090648260197517044187971607705030203563148551270453619780771632226419 | 2025-07-10T08:13:08 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.089187 | CO_1081085352868602541245927 | 1081085352868602541245927525861099483428178187524059509723795643297337204284091101394144380933547799143688506832584791169823868243453683325921403036042313 | 4814885988993377604188198557527236491809345348883649905011256216482296152004175285415479088012896395286751038654292381233707808942190911220995845808056980 | [
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[
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true,
true
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PO_4934350183428691556146230 | 4934350183428691556146230340783832303293660099733638315087444482169409643827227720744278006888868714718891763577476647299323037762514440228329219620051815 | 2025-07-10T08:13:09 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.044399 | CO_8357424324311878350464919 | 8357424324311878350464919338375718553871652509803321260552776336225142201524769669654783184275561462943132269851280917946831928372663263579922282328584101 | 6316941223893359757070352451554251228591882725773330097852759103051703007770186628569490168342419977503489973203163308982682600515598793817112913168893393 | [
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[
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true,
true
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PO_4934216709117930944189859 | 4934216709117930944189859206362937201834000214885575927772542134224633357838544714264630184150686070435561795390791677090930576530483349739514921538423859 | 2025-07-10T08:13:09 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.071636 | CO_6149921035692256905537449 | 6149921035692256905537449183572112807401525363472750845832711228623732099721376071918450086916288426743882096919170821123173158682840614800514301964970164 | 12832898358077295457177692367306879547257136729692712247614177225132585696194856736065665608792650652339053284805753899990122741504413638008736992101674693 | [
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[
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true,
true
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PO_4934411720934387725985755 | 4934411720934387725985755936328630559078706354547757581384172778897901491302764657684299270305462681531657448334160279322449013197493927516023545750833490 | 2025-07-10T08:21:10 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.045579 | CO_1118231275876780559016475 | 11182312758767805590164753580974462084172481579471978323271025776258221374142061701205743608615209062253453523257169365731392042785679729889429753210305922 | 10006069209121331465809447788067626652081131444174868782880683157403220999437596158718714675517335416395554158717960498463343911903280407771064984779245844 | [
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[
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true,
true
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PO_4934745883394494707455472 | 4934745883394494707455472440449356848291715506208158004562997816284718187181546682343099736048413546632301791325058784803051319663815743340413474124681246 | 2025-07-10T08:23:30 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0 | CO_8850613509664882471690737 | 8850613509664882471690737936586160329969978805930050709759039561894639456086781635489782842758987786248198731955855983161672534621135344973232803415338646 | 6734935770081766167374155323559877912620782041626271747776011043448209570361860696573542213414135932442260346363314999149364348403846235814629300768262562 | [
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[
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true,
true
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0.5
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69,
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44
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PO_4934772539829795801707897 | 4934772539829795801707897015413315819971937731943225070844588110627119165715969914844596136105092474604363778121772114004757973695130724618626365561028135 | 2025-07-10T08:23:30 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.01988 | CO_6897971827842655718368394 | 6897971827842655718368394077201395611611734675604134318589802785339165615944953371862685261671900149495652998591128770067320231620366751479064374938625303 | 2115158681725119315054554116440526238758177554009736273158553251086613363540239478124723676217745158380580211418903116592950529344143043708227808209262541 | [
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[
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true,
true
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PO_4934623894226791324120476 | 4934623894226791324120476021457651913721467973010761382917555986446452716913739162532844957324262981648841484062009329177322941270739771150620578107110840 | 2025-07-10T08:23:33 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.073668 | CO_7227544890226667937245845 | 7227544890226667937245845925515604724353967830085293482893164151604181489710141974491567257632338795605099195489509853006044296141149820358941995582346527 | 1060360749751887070162486281531850181735548621214724302647647494503424569603687160648416944634670640255041874946854588586934080093973009770996331936633025 | [
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[
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true,
true
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PO_4934642521372204672787829 | 4934642521372204672787829056171645690500570339499084102981958020297436592741742704175529405864806654783728818594309710287224241637027004746409657099638266 | 2025-07-10T08:24:23 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.057781 | CO_1262094522674054256567478 | 12620945226740542565674782596584763915868174682381647197151748260757919565323788767560243266683690334104218620611024763039973494024482410843301079954417601 | 6254471382957656470402143152884640353403321312264141116560134009496732020499715558984796637843561391056197962249996352602297722863900357419053764009811465 | [
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[
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PO_4931608381509387769581167 | 493160838150938776958116766124509555349659673645195786391435091041720341665446930575964028828432266761753239141595083562927739714713630813749230803305593 | 2025-07-10T08:25:09 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.026234 | CO_4768394364739844535487083 | 476839436473984453548708367187404043946359523821792892159538854999455356512482280273269504268339871062137657512990908124703742418160329569370625946871949 | 6199306244078752439346695828805120096184189823351017634155216069438896933356430037240625909811688148128091228018043833403010812422451898823313359953417541 | [
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[
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[
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true
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79,
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"alex_mp_test_agm003161333"
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PO_4931361133237357682017622 | 493136113323735768201762247660228184717751462635380849689272996593742608897242749065960273813919089821412410680763898861279445571182752990703441813768758 | 2025-07-10T08:13:06 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.069292 | CO_6950129322622876263479126 | 6950129322622876263479126371843089522691216618439591893663730052691247892671317198760809774136484591844561798876092941802999652043541829788610225962190686 | 13164211376682154890686527720653939415841451849189308285089277223886828844312961041953793741322930093676662204170460289106653444970749432835648396847424709 | [
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[
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[
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[
-2.22... | [
true,
true,
true
] | DyGe2LaPt2 | DyGe2LaPt2 | A2B2CD | [
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"Ge",
"La",
"Pt"
] | [
0.16666666666666666,
0.3333333333333333,
0.16666666666666666,
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66,
32,
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78,
78
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1,
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1
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"alex_mp_test_agm004751520"
] | null | data/MD/2029/MD_1127293758555377310012029.json | null | null | null | {"alex_mp_file_key": "564815", "alex_mp_id": "alex<agm004751520>", "alex_mp_split": "test", "chemical_system": "Dy-Ge-La-Pt", "dft_bulk_modulus": NaN, "dft_mag_density": -2.051890177772865e-06, "hhi_score": 5689.069744790566, "input": "Please see original datasets Alexandria and MP-20 for configuration creation details... |
PO_4931619725063064462788076 | 4931619725063064462788076387358609600269906174961922148174089942137268152261963470838816273677263436604854731856490351139638782752965289871073806295969498 | 2025-07-10T08:25:07 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.01547 | CO_1070190451605890871206635 | 10701904516058908712066352256118850257652294080875149003446728154782279776970192434707820912388195233595739770608775797559223867849984726003662779996922352 | 7060423737230465527512155736414191634207521247049900655055292104607496667009384404127541782306095242959474242019065629704246122075445420092778120415983998 | [
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[
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[
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[
1.6... | [
true,
true,
true
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0.16666666666666666
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"alex_mp_test_agm003433784"
] | null | data/MD/5448/MD_5559613615643785122305448.json | null | null | null | {"alex_mp_file_key": "333942", "alex_mp_id": "alex<agm003433784>", "alex_mp_split": "test", "chemical_system": "Au-Ba-Li", "dft_bulk_modulus": NaN, "dft_mag_density": 3.210397297985972e-05, "hhi_score": 1434.6861900217807, "input": "Please see original datasets Alexandria and MP-20 for configuration creation details.",... |
PO_4936814131833135308383531 | 4936814131833135308383531267028419070288875728776003726854701149510472117140058227949620815087687872319789021637707037139760302282796299081740068442833333 | 2025-07-10T08:07:34 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.043278 | CO_1158261815002488578833483 | 11582618150024885788334832037268862614413050526792541815129789272533142962363512538481142816991891321828179153209004146727429531529126117290097335050771015 | 10431789361406278525247416611713712357814793338470356704008740794499659374063790671312664608274362405301458423871473249448857192018942295674107382417553188 | [
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[
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[
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[
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1.709492181742026,
-0.22345471780475... | [
true,
true,
true
] | Tl2Zr4 | TlZr2 | A2B | [
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] | [
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0.6666666666666666
] | [
40,
40,
40,
40,
81,
81
] | 6 | 2 | 3 | [
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"alex_mp_test_agm003198841"
] | null | data/MD/8465/MD_9342893809443929130638465.json | null | null | null | {"alex_mp_file_key": "186553", "alex_mp_id": "alex<agm003198841>", "alex_mp_split": "test", "chemical_system": "Tl-Zr", "dft_bulk_modulus": NaN, "dft_mag_density": 1.56658353999374e-07, "hhi_score": 4660.574906942638, "input": "Please see original datasets Alexandria and MP-20 for configuration creation details.", "ml_... |
PO_4936875305450167669428636 | 493687530545016766942863662758751342731422457652219374638069691093369231670877336153548065570661982222282646986819022419199211833598522741218253987990245 | 2025-07-10T08:13:10 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.087948 | CO_1170548398329242882524762 | 11705483983292428825247625446233159141359021485823706239806608053689804983886767382372687656780455632052163342402935658942090466219125680006101905421517314 | 11216783937886812460568231864368216524294141432295756497218345432061976634015736507080077398009657277607880165728294753569247161946877838981868183439699444 | [
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[
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[
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[
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[
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[
... | [
true,
true,
true
] | Au3MnZn4 | Au3MnZn4 | A4B3C | [
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"Mn",
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] | [
0.375,
0.125,
0.5
] | [
25,
30,
30,
30,
30,
79,
79,
79
] | 8 | 3 | 3 | [
1,
1,
1
] | [
"alex_mp_test_agm003561588"
] | null | data/MD/1739/MD_2000186002144132379151739.json | null | null | null | {"alex_mp_file_key": "87503", "alex_mp_id": "alex<agm003561588>", "alex_mp_split": "test", "chemical_system": "Au-Mn-Zn", "dft_bulk_modulus": NaN, "dft_mag_density": 0.0272034655060744, "hhi_score": 1307.912857406811, "input": "Please see original datasets Alexandria and MP-20 for configuration creation details.", "ml_... |
PO_4936363051114039038875529 | 4936363051114039038875529072526076338882550889917753785767919218833999401930385243355699372725256141104283262643506475558753609398523794586356893942278368 | 2025-07-10T08:21:09 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.033073 | CO_4470727081876110027859065 | 4470727081876110027859065942376990143087044818627547351762953664481461571724979504424642268588929768752809882071682146132198889408708916272991541255210633 | 9233506322753789136986769517774308415614891337265405022394640510984668473883802149265436755305809534769484370554619162223956088308386470103481864788350953 | [
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[
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] | [
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[
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[
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[
5.2517... | [
true,
true,
true
] | Ir6La10 | Ir3La5 | A5B3 | [
"Ir",
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] | [
0.375,
0.625
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57,
57,
57,
57,
57,
57,
57,
57,
57,
57,
77,
77,
77,
77,
77,
77
] | 16 | 2 | 3 | [
1,
1,
1
] | [
"alex_mp_test_agm003219571"
] | null | data/MD/5974/MD_5424701429842564564205974.json | null | null | null | {"alex_mp_file_key": "45548", "alex_mp_id": "alex<agm003219571>", "alex_mp_split": "test", "chemical_system": "Ir-La", "dft_bulk_modulus": NaN, "dft_mag_density": 0.0003774240639958, "hhi_score": 5821.810043413657, "input": "Please see original datasets Alexandria and MP-20 for configuration creation details.", "ml_bul... |
PO_4936554649352864156989736 | 493655464935286415698973608809459875258692349974933117948491870160582602802498408458237794691493247853445928643364346698127666435768951145338766024478886 | 2025-07-10T08:21:12 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.056152 | CO_5980180718641390792816793 | 5980180718641390792816793102152462206333214780946770155956192629163226553558161092225348260946765187913192737572851842752560891664495770892698724545988601 | 5213753859507685906169316026794201353276017680600967758978861740446013499013637663649504639312520803951792961914152252591909659748491124486275445684389336 | [
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[
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[
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[
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true,
true,
true
] | Ce4Ga6Ni2 | Ce2Ga3Ni | A3B2C | [
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] | [
0.3333333333333333,
0.5,
0.16666666666666666
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58,
58,
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31,
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31,
31,
31,
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28,
28
] | 12 | 3 | 3 | [
1,
1,
1
] | [
"alex_mp_test_agm003412899"
] | null | data/MD/8482/MD_5825450039305097058638482.json | null | null | null | {"alex_mp_file_key": "14706", "alex_mp_id": "alex<agm003412899>", "alex_mp_split": "test", "chemical_system": "Ce-Ga-Ni", "dft_bulk_modulus": NaN, "dft_mag_density": 0.0056152168546817, "hhi_score": 2470.706506032538, "input": "Please see original datasets Alexandria and MP-20 for configuration creation details.", "ml_... |
PO_4936541922285942927974578 | 4936541922285942927974578067392534689870664833599109093889151645339726262143117491996536524368175958765946241871574069278181931128293502640192629811252950 | 2025-07-10T08:23:34 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.066442 | CO_4685809622360576718285294 | 4685809622360576718285294804741048029792906604082791513367075023495634908151282802518156986968760398762112591257581685678256641498720874986252060300196664 | 6048536853340939270998390767180735494058060757360519924390711217660787234298763142417444365183333757951224832706527725853765971238009160062287869804154123 | [
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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
] | CaGeI6Rb2 | CaGeI6Rb2 | A6B2CD | [
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"Ge",
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0.1,
0.6,
0.2
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37,
37,
20,
32,
53,
53,
53,
53,
53,
53
] | 10 | 4 | 3 | [
1,
1,
1
] | [
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] | null | data/MD/4300/MD_6563713040886025626714300.json | null | null | null | {"alex_mp_file_key": "234838", "alex_mp_id": "alex<agm004478283>", "alex_mp_split": "test", "chemical_system": "Ca-Ge-I-Rb", "dft_bulk_modulus": NaN, "dft_mag_density": -0.0, "hhi_score": 4668.153036490723, "input": "Please see original datasets Alexandria and MP-20 for configuration creation details.", "ml_bulk_modulu... |
PO_4936171289926884178504770 | 4936171289926884178504770521433994612359336914404873704976223419515319543264112876039733510443502750938841053416260572587346682690371976227641189391595556 | 2025-07-10T08:24:20 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.017129 | CO_6731122963852135993749928 | 6731122963852135993749928401895113897434963486759963168793306632058263363235658901263327208335830510076568108318094388931704074500492589155159619704954374 | 13063088586274449792394772290494165670671428159508726140273553491385405574938466583811446468350214337076836839019808508278168262198511798415135810476691252 | [
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[
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] | [
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[
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1.9352877248972915,
... | [
true,
true,
true
] | B2InMnO6 | B2InMnO6 | A6B2CD | [
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0.1,
0.1,
0.6
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49,
5,
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8,
8,
8,
8
] | 10 | 4 | 3 | [
1,
1,
1
] | [
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] | null | data/MD/5353/MD_2354353329442196259035353.json | null | null | null | {"alex_mp_file_key": "604884", "alex_mp_id": "alex<agm002254674>", "alex_mp_split": "test", "chemical_system": "B-In-Mn-O", "dft_bulk_modulus": NaN, "dft_mag_density": 0.0394150768583949, "hhi_score": 1460.695925832932, "input": "Please see original datasets Alexandria and MP-20 for configuration creation details.", "m... |
PO_4936812895805750316368462 | 4936812895805750316368462822430012036309310172952425583945634207937922109165448901704443901665692162195339434707968182438275666839436551891508300239225393 | 2025-07-10T08:25:08 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.083829 | CO_6139246943067233288098566 | 6139246943067233288098566979646942583815140531707724648453660221834623368971057314689099992746938418917464185810098620978143228425997536944330377499416489 | 7339200569781182200297351678766676206936697208016262922980371194557250786805018089864920488438618695454303530111277127516423931708906153805120839587033267 | [
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[
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true,
true
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PO_4937611578696492534504137 | 4937611578696492534504137523771417189872639321584912856017518975177979492463752602254314304007893638874229866113507558806981454044510752822354673029493843 | 2025-07-10T08:07:33 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.022547 | CO_8929123962938807172842081 | 8929123962938807172842081129331615185533828769466746165696995502057302805186939708227382584079088638182482467789537796201890381568321486082789975879647323 | 1076896902000704980371925087230013788655272305383897380523590248714116342431324780224912304967901318967370433503510443483352764861655066606563247112237065 | [
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[
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true,
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81
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PO_4937238384277413201412607 | 4937238384277413201412607710429821688183510849468979876588919826362672624650745177054301125865444463386655877125042588270969730598155386580041921505728224 | 2025-07-10T08:07:34 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.084042 | CO_1275974975057763939096568 | 12759749750577639390965681751066877332295826627891618440382355293100995318778311827714183188378597901319794198127637077010842287228438855762176184283229991 | 6204450410239507477525478470191247096270891993654723038821236143314904174370050541060613458614690698456837280467608159620800327798067907372312008578580122 | [
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[
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true,
true
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9
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"alex_mp_test_agm005087683"
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PO_4937285924652557102159453 | 4937285924652557102159453915430588220308010709199832062475821872969738674833118963743572992510984505452271812554387327793465389646327790761897809756903904 | 2025-07-10T08:07:35 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0 | CO_1131222209393450631616840 | 11312222093934506316168405024254597979554927121636120422181623359620534797790641042308605254101073322471009897599205756983827816073027470921916340517704703 | 12012874480992688226645002811056382720973461225543435248142116438735511573328517029501608518291426572831336137882295263355917382896102424845437888508549632 | [
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[
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... | [
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true,
true
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0.4,
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58,
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7
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1
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PO_4937130296131237369731030 | 4937130296131237369731030909100840367137064830553836047766394214509786820758958959657003212389789743081568084230449767831463663903563848695157375006915100 | 2025-07-10T08:07:35 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.017884 | CO_5008171070911023420028009 | 5008171070911023420028009437022552545451731518930170336831259802154450308068200662660548817745641961847363841867204108804269212889798749630400928268341626 | 3893664319433837041283921878150340982182048861627018490680624678591468627757442051614679936416126102870857892414886674984324822875698306462202254430696586 | [
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true,
true
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0.25,
0.25
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69,
48,
48
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1
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PO_4937492719105318733636312 | 4937492719105318733636312027395928987605036265555592401078698364577306239284762736527838189986387777104695983607771356829718338146669909291071583354891804 | 2025-07-10T08:16:57 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.006836 | CO_7457333577296399380148108 | 7457333577296399380148108917237347690938825001426501907594463886614785177472586295242547009479732772851687574096091300644446824617276849267719540423241647 | 6691054044128700932565413112120379647057691901397738182301604828018477750621440740326584547402418428481874449054978040380062707731004127360439305831541836 | [
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[
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true,
true
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1
] | [
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PO_4937397464873704220169004 | 4937397464873704220169004717782979213699725298010678952875483132813065509047626015467047980161742701644996226701610632152578823499778669150442558753461940 | 2025-07-10T08:21:13 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.040111 | CO_1126510272572958400560944 | 11265102725729584005609449270971432510611500259017886292147702359814813923511333584894486315265562419139689288405129947403963271667529788351035706022646549 | 11065260658296454266026744113476795461167556530616068311309990286016125095879941397209791213497899045352304074699056630342472953778452132184507700936905805 | [
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[
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] | [
true,
true,
true
] | LaMgNdPr | LaMgNdPr | ABCD | [
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0.25,
0.25,
0.25
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59,
60,
12
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1,
1,
1
] | [
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] | null | data/MD/0312/MD_1013184717299797868100312.json | null | null | null | {"alex_mp_file_key": "240193", "alex_mp_id": "alex<agm005179839>", "alex_mp_split": "test", "chemical_system": "La-Mg-Nd-Pr", "dft_bulk_modulus": NaN, "dft_mag_density": 0.0002215941494263, "hhi_score": 2959.057491553888, "input": "Please see original datasets Alexandria and MP-20 for configuration creation details.", ... |
PO_4939454319128299563475709 | 4939454319128299563475709288279786205451621647269918179652079535510144663159223372818325507829454205274186673138327272313403454271661225506227650373731534 | 2025-07-10T08:07:34 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.017574 | CO_5022027043268104146420128 | 5022027043268104146420128212623297789396254973153185766424410320602095837164752671051327714660552672560408334596132723389112217643306780198860009286950967 | 269996182340348014900182115016438994938077543733147055711662437812096384352678253678345037887632374024129234238716964708760955613453993863368615341908695 | [
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[
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true
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62,
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33
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1,
1
] | [
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PO_4939889011182592987733235 | 4939889011182592987733235801731179808728063434901378550727945048863920085795590396426384935029023377758371342646476408717572252163991678002218273695760933 | 2025-07-10T08:07:34 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.096397 | CO_4940629499472574142162306 | 4940629499472574142162306026246915684729600405086339252104187798251554131192162583089613596726850968823176578941783435989538336108746567287403192006411197 | 6881359509600442166122916010799840435436757916447707252391726733633389291783244082526671789658684561272288280516445543632033438863025477461264600947864379 | [
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[
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... | [
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true,
true
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PO_4939461224695348580012916 | 4939461224695348580012916330189549635209076589578544767008102214123893973035341018030325488659816535662409124251829592344608823083009943902292120195344315 | 2025-07-10T08:16:58 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.099337 | CO_6919406981469766758687008 | 6919406981469766758687008212727413026610419613447557018755039269134627439734494687309785294032801582974812181233289425391293183874786946836327514894783671 | 8264808052462897199835255228965007753959966113739122992240854064690926109676519787819267965497996349894911744769908901011722705416565630689150862962071181 | [
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[
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PO_4939571273615105728707306 | 4939571273615105728707306838408826803705368150154769332351621714706438836936926648935747719955259542907949990688090810066966265061416249598561864020952230 | 2025-07-10T08:21:09 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | 0 | unknown | null | null | null | null | null | 0 | CO_3613887732083688506403524 | 3613887732083688506403524943663655793337025555451051800409391987123851058900747973172895474106441299584697208538525136755346991540948474000455214518035354 | 1013295104527610780199797030219051636233257087314614029291309330260367022392180227697624272910020743180675236107589633881689025577988642658516235176381967 | [
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[
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true,
true
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PO_4939863501125203135851754 | 4939863501125203135851754130393031639385020620825430890266587996113801809680784997248106188139893861434278257320881436201539569863839101899990358634129968 | 2025-07-10T08:21:10 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.070201 | CO_7501203373125479769576340 | 7501203373125479769576340028231501469332266619861616163979378450098419043445900263603923545556748477847974370309649147596922830938193679721521878664608026 | 706619230796912927996847098738263824562870695895687897733662811501012900728635849320138659973532458016156194720883467416971924903567164154902055495400826 | [
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[
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... | [
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PO_4939914950479731556540161 | 4939914950479731556540161824142604611523550409885838865640938811259927252102870392741730648554623641671224795545027419860995700442032753709259004585497166 | 2025-07-10T08:23:32 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.053948 | CO_9686803629574948989209071 | 9686803629574948989209071857361017685383336887193098009559387540664089230998683024556165310664316998424608476613570853580218597440191600028577651851638978 | 8931440565761528529395163884255532964741878468426177798418768799439089932576268313837325509804372267720143117528517394756517054001594993923636780800790687 | [
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[
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true,
true
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"alex_mp_test_agm001054900"
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PO_4939630289787140794281179 | 4939630289787140794281179453379629311674198994364810563123184796536895521109058638364626724411771166815383866069785508741761043530416937305019837644365081 | 2025-07-10T08:24:20 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.061274 | CO_6122836160841362787225724 | 6122836160841362787225724361486233902437491188051797631572121014981275251989256308679667705200464393564970565649111760863326272755407068884697980215496615 | 6875657128682345185091905813778904216492962564786222539227106322492969479632184508755761369472498206381315580193056868337447853122056974883865629200913216 | [
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[
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... | [
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true,
true
] | Ni2Pd4S8 | NiPd2S4 | A4B2C | [
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"alex_mp_test_agm003453662"
] | null | data/MD/1879/MD_1041075134529833907501879.json | null | null | null | {"alex_mp_file_key": "233934", "alex_mp_id": "alex<agm003453662>", "alex_mp_split": "test", "chemical_system": "Ni-Pd-S", "dft_bulk_modulus": NaN, "dft_mag_density": -5.524830201069154e-07, "hhi_score": 4800.029465218785, "input": "Please see original datasets Alexandria and MP-20 for configuration creation details.", ... |
PO_4939941095372552397013598 | 4939941095372552397013598432720909540258697345339886307852505656164855383764369707508835186743861842892753800881454090023468404223045515679843656108259285 | 2025-07-10T08:24:20 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.03319 | CO_1982130992596772900674394 | 1982130992596772900674394460598215133402302994400356274666064941094788262209297114230074593564752866606576023539883418173025798831929391333011022987221480 | 12573180389849595544238290627628524818380259033212362632084601482362448845612074451269258203768175230266063410844656049849029582741704736905970096094361656 | [
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[
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... | [
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true,
true
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0.2,
0.4
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56,
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35
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] | [
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] | null | data/MD/4602/MD_8451109200995820634844602.json | null | null | null | {"alex_mp_file_key": "154652", "alex_mp_id": "alex<agm003404358>", "alex_mp_split": "test", "chemical_system": "Ba-Br-H", "dft_bulk_modulus": NaN, "dft_mag_density": 0.0059473479816612, "hhi_score": 3336.666497441885, "input": "Please see original datasets Alexandria and MP-20 for configuration creation details.", "ml_... |
PO_4930050927453478955651157 | 4930050927453478955651157048956595000147871688331093410825040402704698140175562700325496391138123620611317144016766307280757725590423055285122343787766733 | 2025-07-10T08:13:07 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.046072 | CO_5405326119454295599104779 | 540532611945429559910477969630099956395708032408731448956323676968584973721421430828917231930098467735508182930042243428351648499417549424401656129780104 | 3153091919107135190100267329861579867463430152446405640382127230217304339297206876952042495681655705746037696907220543417998086499597651107922595785824851 | [
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[
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true,
true
] | Ho6LaSc2Tb3 | Ho6LaSc2Tb3 | A6B3C2D | [
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] | [
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PO_4930027540457473033379715 | 4930027540457473033379715813387008785982432947292282763474167788244240278345362639187454568826156329776660970702248336361184875085286443362733838529664617 | 2025-07-10T08:13:10 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.019677 | CO_1134724942048901883570994 | 11347249420489018835709942209216932678104037998607388351237132796055380128322416070841889473009266703317970712653688667286442124731628719375228866454841702 | 11657115575604047468713111552409587552970795038891252483363821306802211927009888616419096849840000297206931584293866269655487810332486527756959620353127581 | [
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[
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true,
true
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PO_4930182915674180630875590 | 4930182915674180630875590366805320071625343341325406226382177198645043448643661873528500260467993938444938767247481042578335217865649171887508278827072862 | 2025-07-10T08:16:54 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.006544 | CO_4405066819795190665574650 | 4405066819795190665574650718897706013976790930293834789980946789846428814879050244265263274909430977796003996027713255178162865583408365428840223257534000 | 8711398564093997156034465479603452402872767792346390680970645644212433915613687353204009468859672020893387478172465999070564263492798823945462300248699087 | [
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[
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... | [
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] | [
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PO_4930580528813316487947876 | 4930580528813316487947876225241188276490477413892996668689141895786710501282584368037290636367484040679901109372452316733717055357909559344274946559029873 | 2025-07-10T08:16:54 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.018489 | CO_1314340483579175156121676 | 13143404835791751561216769979131243658345952270018341266226304605446368029718298980628147732476844036362757433934418274528264631198376443982314128060602778 | 6077870875537073479054324597257447888687514875476947555859462359318531390514884492072095671561855637625210621218903072663986884928615618296729530189081145 | [
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PO_4923041096243608370561670 | 4923041096243608370561670562556531991696177037584112300795985941235283809360391652160260195887993909082795214077903993042706084846992669390776082597215497 | 2025-07-10T08:07:34 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.001759 | CO_3374964601681101732416817 | 3374964601681101732416817150423588735416557159052213360406238400997631590475870821169401326501772972996522868492111064954334258560870598988202635594133944 | 1277870209203671700017224753519939134956253082468522599155765082592870835816961721091079498754604744328179742393495199065647573191241799195356514813788003 | [
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PO_4923710710516997133478096 | 4923710710516997133478096599437198222314616383728950558844384933608356367344393340988418498696699284395917061505157425440749035230266745500827922863590363 | 2025-07-10T08:13:06 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0 | CO_8662229288545401419001840 | 8662229288545401419001840047094738728200428112752257527877794053334118676989946990054986490581899744475529791740871337514705460886427856661185960387793381 | 4013158937117349811863586112214598895956234187709784394226235510988065472005402201518391687070078602628586240373416567968882839986813055005162730748900124 | [
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[
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PO_4923563811237553643198909 | 4923563811237553643198909390286457695945925452413405609396887348421941088134983314850746718324183639457889559896993025505896735003280318727672404535018843 | 2025-07-10T08:13:07 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.079348 | CO_7607991932826946001566891 | 7607991932826946001566891796791589457102741912107331274500448825140459845834736122948101902846795737905468734372570659817893960065867842531897597802977851 | 11680512859563846974896061326606007915801602039046448933030701109250687569068610581435614534774557652541221638232236802900288042260438678893460884278287938 | [
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PO_4923848177687577976037401 | 4923848177687577976037401463046434939721377217523199125123219402413633261472929491319419779874823424375721923830812429120969920428893202469943861249765502 | 2025-07-10T08:24:20 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.038283 | CO_1153333305454096388234485 | 11533333054540963882344856283829215869086881750684012282901957301849475190540610081382938448570298691253133117491651365008452123193556794610844813743969161 | 10411440734008969196126829067742016269004073096359553204098320924300721734051351519054846726229298926533230647448616837753239238463051771192674919768544221 | [
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[
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PO_4923383606668688699649164 | 4923383606668688699649164924655550041902923824427190239524185185093016984325041501353195572959608009872569464143889162176901820218887111451600782306527195 | 2025-07-10T08:24:20 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | 0 | unknown | null | null | null | null | null | 0.033857 | CO_2479814989375685570449203 | 2479814989375685570449203538963266871069745798957212038820665908683678698212975469401678564931217638324075114395229224579638073557675824468598379063625573 | 9156708041941316511809824101749883664093529440806093549024217287859458017702483748617833500346801279803462588725368934853651244260861566200470821111567930 | [
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true
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PO_4922465046140156568866606 | 4922465046140156568866606133438950237144699455095108049551489044845679512240819683001249281353716296761557053101050386761291523001868190656684835183005738 | 2025-07-10T08:13:06 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | 0.2428 | unknown | null | null | null | null | null | 0.007253 | CO_1137159770318353310200313 | 1137159770318353310200313952591404343907597507245195999750104514851359424906671134641005759839881824840275217208571426179665282007345314598376961255424849 | 12399673273289654545139468128457942810675051463729303411325258694422127227142186379536771610110318698339979459739427450211064724098815182713816027194662237 | [
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[
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true
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PO_4922322084721740706571948 | 4922322084721740706571948524442812385230643523125284552557434832572087798471304947195632811167405683264639889424529586305934663936280217973111134099944769 | 2025-07-10T08:23:30 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.065565 | CO_1277633763156153179705612 | 12776337631561531797056126619948612783908288379944769937771176388509802136543661238517103303139139253702795004372371278310545090204517854363899864377659539 | 2662524481906276950847025562336377584656340662539749810365999779610807885773982247950337315858801380774698678685843926109982576102151644597010286346754294 | [
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[
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PO_4922577853487222341651195 | 4922577853487222341651195087274753730849647347787949941718114376054649997541153871064588072997929717232806218981128180477512163803845796045327372935760605 | 2025-07-10T08:24:23 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0 | CO_1487333341648416819591070 | 1487333341648416819591070306925394486631741007458917313623854265868809446377711409504145007878835562152038979513353018386714522214020212283233639065311873 | 8734249674979154115337625883016274259033228327404940797795051154383890768196068686815246272123771087392358253090839900849932645610212535216323459682772382 | [
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[
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PO_4922865568522976797479669 | 4922865568522976797479669196773233738392584018317435614457164640356990216718245092225199866971713848350649775435649005369089898962394616476284623299798422 | 2025-07-10T08:25:08 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.030482 | CO_1078479929777944936060344 | 10784799297779449360603441841387271446414631006625370794841460710506344926731779421824074236477729087132364713059539147310775487100600526646446552658738661 | 2388099694921623252545612747713842884563069779554426890865733415218561038117331338613010429193527175902353427932190490420622154279994018172098186176420601 | [
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PO_4924565328494862219840592 | 4924565328494862219840592121311893171614294763157026781661110311454059510140525598349191762588499487658014458080408923093396612165481339659786906047057529 | 2025-07-10T08:07:32 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.028472 | CO_1080821548704889551092789 | 10808215487048895510927895013961734418425330338380303906165009049900976619861989354141288497052357105542214815115505360522020708550078137219512043815756471 | 11368022319987536040413771974123838638328853288266836737523041227201247182940223402020010656453773564970319001443603066591081865893997303071214558069421556 | [
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... | [
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PO_4924719051568183466996460 | 4924719051568183466996460250094171458897104431968951889840701844840631963154295908883863414963341442284603360142861802472909152809503213628674637387450563 | 2025-07-10T08:07:34 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.0938 | CO_1051446225273008611116700 | 10514462252730086111167008076326568218471794046879327818368388252565776125709560109657574726364438266257805692218995061006074697345800777797750516091216057 | 2196059677412632467539626261841852035876337238086253456966277481091280297873782886804629561645861575507709427057087084872272214986552391098246965655771893 | [
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[
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PO_4924768332249260136210054 | 4924768332249260136210054007984425622041763241376942971716720334954137925018168002088428898067973246301981297720865933854650572224842649046064501155137073 | 2025-07-10T08:07:34 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.033027 | CO_7364913437975860322090731 | 7364913437975860322090731179451563603547914614421873080455719930665162264826862470145831355422485023992955841152517982178651238998179140655067523542454130 | 5973305199120656010131903507344733346841981742504797393501086503306258371294843871337801013642691684077200452767449717143659472697990128823815780199297956 | [
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[
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PO_4924812242329225134771636 | 4924812242329225134771636857211881651243853388648131998502400018015036733049400383019132619804742383042919810042098695808494932450343243316696467348272219 | 2025-07-10T08:07:35 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.047675 | CO_5470418672626046780493074 | 5470418672626046780493074631859264041870690333211863879622000498071244753103987269485668012217205921033569454133369971414290722277975092796952560554847844 | 12187302805408591303239867407844609260586955829016281764994373646296080228934254786496234520541997312996423922607233560643880176209797918226760363773680386 | [
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[
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] | [
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true,
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0.5,
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PO_4924426512348383559894348 | 4924426512348383559894348157385955413055781942908880368142515180507936566017683672470471827459061836427890095263299035569957913903905215422095822925746401 | 2025-07-10T08:16:54 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.071252 | CO_7883321266999721087040529 | 7883321266999721087040529052004316073667812459753112755168651040171209073562326442132342215670789108304740219948354533810449997267044581066747507531180848 | 7387105764136081973224765564150848724593054472861903675765712322526173358305130289152472155297661731205190493534548655088168584160593063649402051928226355 | [
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[
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6.23478770554098... | [
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true,
true
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PO_4924963947660022052632397 | 4924963947660022052632397161857443150822950827286867448767093320488428016551516921294884878880589312033788913334470472741263665483686459501318439237014726 | 2025-07-10T08:23:31 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.043543 | CO_1081572323197674025862876 | 1081572323197674025862876554679824836003576562278377719262182132717173131819798147396309488067265195032825969599866545827888434632980343158069183350454151 | 8160340120572111524919506211096845606856060558011576965676661915592522718430684287511858359450970811657577436830453913771592468014003794779109532245434758 | [
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true,
true
] | Cr2F6LiNa | Cr2F6LiNa | A6B2CD | [
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] | [
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] | null | data/MD/5547/MD_1187583889389537167135547.json | null | null | null | {"alex_mp_file_key": "65944", "alex_mp_id": "alex<agm004957169>", "alex_mp_split": "test", "chemical_system": "Cr-F-Li-Na", "dft_bulk_modulus": NaN, "dft_mag_density": 0.0618491844990392, "hhi_score": 2573.482365561994, "input": "Please see original datasets Alexandria and MP-20 for configuration creation details.", "m... |
PO_4924385937111287493306899 | 492438593711128749330689946750225284439242632574170871908780934518986827039482544723600409082478371752661941841647307817458020467089176451610044920346553 | 2025-07-10T08:23:31 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.00075 | CO_7048011226096178374465998 | 704801122609617837446599813406955191565835702301864385550914194480937779567331248696200646517094752453496010035712241344424042402429783758331647723947293 | 11668945397958700888533811438446319728247270078855908596546959395218782714695917682832819228820384501466124011300080233249835217180456632537893227121202425 | [
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[
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] | 10 | 4 | 3 | [
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PO_4924928973146945993377058 | 4924928973146945993377058015345551369800653243148410593581488509779310295336827546031672671492596835617799545967437152014085267044773554462563815300373895 | 2025-07-10T08:24:22 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.056221 | CO_6322083202765297849960794 | 6322083202765297849960794584610127362435358294915515063554628731953927732896599025521976514772515711645483095865291555842510827328873008736519416666215300 | 13181777722547587360918715908683871812321695099640220169073561214307111712692868014243684973294879234696553189776963524295836467293575387233730673941224122 | [
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[
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true
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PO_4924846306180647221566186 | 4924846306180647221566186559861346219040396016362461030125181379326636097344392479216396533419532173661003944569153551567049451309873181124426377594714059 | 2025-07-10T08:25:08 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.003978 | CO_8791748192628353356836851 | 8791748192628353356836851501763493615723552901545837029583527997089345517634583875479780725289305702802285287918591585427709005462646346102299793073259504 | 5151690051356934711027276742456104190270229720208752250704864545353028922925281989339535022819563637704364167778929282504718593021052206396901167184866236 | [
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[
0.... | [
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true,
true
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"Ho",
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"alex_mp_test_agm004612016"
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PO_4921741352279485422095451 | 4921741352279485422095451256875805685001501610431091298012107363109114027110707029604254339083448061224411230401255216024157865030207979776976643454565440 | 2025-07-10T08:21:10 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.05318 | CO_8947919766669843391859293 | 894791976666984339185929333961349410271734285614601773302118594116480784065773831689897518276836662038237116104459114487685908115398416191685534641729019 | 8219851369344693386291301824515574810552038251265493101126685034989065682700438279059039118754402633878044539552393966083704147324989210232895097388887718 | [
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[
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true,
true
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0.4,
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59,
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13,
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14
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1,
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1
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"alex_mp_test_agm004522807"
] | null | data/MD/3471/MD_6967884070197985805783471.json | null | null | null | {"alex_mp_file_key": "567555", "alex_mp_id": "alex<agm004522807>", "alex_mp_split": "test", "chemical_system": "Al-Be-Pr-Si", "dft_bulk_modulus": NaN, "dft_mag_density": 8.455339534622879e-05, "hhi_score": 2631.216366647068, "input": "Please see original datasets Alexandria and MP-20 for configuration creation details.... |
PO_4921922042352099199091126 | 4921922042352099199091126552336320402842416851097296169416156591319301670635581340750782797094931810388623539788829843449714027364615421821390246566693722 | 2025-07-10T08:23:34 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | 0 | unknown | null | null | null | null | null | 0 | CO_6657069921434542214047025 | 6657069921434542214047025397154132021000917603219012475856934236267513066606464443747162489005302372739433087136548006967088346105024724493610461839389018 | 7882272630277704415816660303978833004035059955222908133575456635666994447977907694467927625807558487712338736207436488478057581192009992181707075428678020 | [
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[
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[
... | [
true,
true,
true
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8,
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8
] | 16 | 4 | 3 | [
1,
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"alex_mp_test_mp-1226272"
] | null | data/MD/4534/MD_1284899365469794028014534.json | null | null | null | {"alex_mp_file_key": "133646", "alex_mp_id": "mp-1226272", "alex_mp_split": "test", "chemical_system": "Cr-Ni-O-P", "dft_bulk_modulus": NaN, "dft_mag_density": 0.011324265596739, "hhi_score": 2252.0446005788804, "input": "Please see original datasets Alexandria and MP-20 for configuration creation details.", "ml_bulk_m... |
PO_4921655020928496475721504 | 4921655020928496475721504026997640458275582180722831198314654796457816310066930829954673239243333105143210602972814179137108196783308346396108180954347465 | 2025-07-10T08:24:22 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.045164 | CO_2119386254034247335023828 | 2119386254034247335023828708420112891214036372383799230325159756233250230999536020705385880921416838944152148541617262541122064763738631286750806219147175 | 2858021056944654119260145791406024722059223802164332375337062958297020964969866709352402731814960164453566584005942316158445755315666272445850073695462704 | [
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[
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... | [
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true,
true
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66
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1,
1,
1
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"alex_mp_test_agm004555832"
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PO_4921870854024246100342480 | 4921870854024246100342480782384552377635102677175586679638916718429771180811814674141075451533313845925783985585580876303173053674135056913531227752706631 | 2025-07-10T08:24:22 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.054707 | CO_4601346967057598499954847 | 4601346967057598499954847044268945023732969819454419349506728869732419146299626575150420852112694305891096031635727453952322615250223015522233949561840885 | 7651104131685997809337970764105327096341339185611355799730622299996807637079476133945205908700290952891765784165631425200449289497542826428851115407694177 | [
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[
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true,
true
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33,
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"alex_mp_test_agm004731877"
] | null | data/MD/7811/MD_6935046160181335507587811.json | null | null | null | {"alex_mp_file_key": "420036", "alex_mp_id": "alex<agm004731877>", "alex_mp_split": "test", "chemical_system": "As-P-Sc-Te", "dft_bulk_modulus": NaN, "dft_mag_density": -0.0001637293517623, "hhi_score": 4714.33093352067, "input": "Please see original datasets Alexandria and MP-20 for configuration creation details.", "... |
PO_4925063255997303737217718 | 4925063255997303737217718262463192711448999950109285891695438950046981116117183178220087081847327198680402981280813012292452894605210377640447381926785482 | 2025-07-10T08:07:31 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.011014 | CO_1537826636658560955265363 | 1537826636658560955265363218036637203796045249995650363138901946174972312380742165279180796403436141303961358548134077794258877346177569731517201760458276 | 5395149203647880355115811202256754577911583186485420757332609020093180580790770117143875446819458789062714356191287954588592564995835258541861991300558132 | [
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[
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[
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[
... | [
true,
true,
true
] | Ce2O12Pb2Sr4 | CeO6PbSr2 | A6B2CD | [
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"O",
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0.6,
0.1,
0.2
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82,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 20 | 4 | 3 | [
1,
1,
1
] | [
"alex_mp_test_agm004969314"
] | null | data/MD/7024/MD_2489255105859923400317024.json | null | null | null | {"alex_mp_file_key": "539554", "alex_mp_id": "alex<agm004969314>", "alex_mp_split": "test", "chemical_system": "Ce-O-Pb-Sr", "dft_bulk_modulus": NaN, "dft_mag_density": 7.557657095280316e-09, "hhi_score": 2232.693301327421, "input": "Please see original datasets Alexandria and MP-20 for configuration creation details."... |
PO_4925260953513465608437998 | 4925260953513465608437998480626793725280770128540586899605219914118449292607557973631797807144713337729822876219603620586313055717927293798162208717247059 | 2025-07-10T08:21:09 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.080132 | CO_1340047036776876519643793 | 13400470367768765196437934450804920459331982706500963509039672606025427381232240719922113927359716933793783783654872146465794753798806404023963033005992719 | 11434258504067171758395991308558239118016418713912140329768369217398716318001725568698583463274009701612778264169470740304111605036245107942510166822226573 | [
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[
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true,
true
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16,
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] | 16 | 4 | 3 | [
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] | [
"alex_mp_test_agm004726400"
] | null | data/MD/4556/MD_9667922882273765933224556.json | null | null | null | {"alex_mp_file_key": "481232", "alex_mp_id": "alex<agm004726400>", "alex_mp_split": "test", "chemical_system": "As-S-Tb-Te", "dft_bulk_modulus": NaN, "dft_mag_density": 1.3054014804748664e-08, "hhi_score": 3501.521916367876, "input": "Please see original datasets Alexandria and MP-20 for configuration creation details.... |
PO_4925308932161318286930129 | 4925308932161318286930129497664980580530967556516114746942047425921426008405646884860830117108643183974810436447728995080433678219969047505702299406703837 | 2025-07-10T08:24:21 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.084545 | CO_6063492820818400469781201 | 6063492820818400469781201995207660806237628677976056382506811466399152788551381559934705313011917877511379411699337215517617567937566212350978930060730690 | 500971012000040348476609955683137081762481474960794713820621112196519607124379078674501784601318109846632443246499074752504925072484966804536474628984241 | [
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[
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[
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true,
true
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0.4,
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57,
59,
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14,
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14
] | 10 | 3 | 3 | [
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1,
1
] | [
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] | null | data/MD/4721/MD_1282823273469815357184721.json | null | null | null | {"alex_mp_file_key": "435832", "alex_mp_id": "alex<agm003404240>", "alex_mp_split": "test", "chemical_system": "La-Pr-Si", "dft_bulk_modulus": NaN, "dft_mag_density": 0.0006512322726982, "hhi_score": 2852.6501663050294, "input": "Please see original datasets Alexandria and MP-20 for configuration creation details.", "m... |
PO_4925087394824952171502017 | 4925087394824952171502017221390472055045900708159863293372048312046969218505053599019214115577285234699417096964144110066651520635234859908829554558679095 | 2025-07-10T08:25:08 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.056967 | CO_1056645844479295760346163 | 10566458444792957603461638815495163589404666532297496662190628798343651007220161817815515841693414142253483932777398895418703449329939336937302154666270021 | 12742036364164525569757195170797633899969356516322411213531040390059362154583395427131753029495701175634296601868783047161580137752785348806598499655304923 | [
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[
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2... | [
true,
true,
true
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21,
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1
] | [
"alex_mp_test_agm004863638"
] | null | data/MD/7275/MD_2779800525546874901077275.json | null | null | null | {"alex_mp_file_key": "223879", "alex_mp_id": "alex<agm004863638>", "alex_mp_split": "test", "chemical_system": "Dy-Ho-Sc-Tb", "dft_bulk_modulus": NaN, "dft_mag_density": -2.760976418101573e-05, "hhi_score": 3403.800398696568, "input": "Please see original datasets Alexandria and MP-20 for configuration creation details... |
PO_4929573027018640796066529 | 4929573027018640796066529595579087599822651128432513273084379597606189549469905443426008553052683202255765911238288591110776190590426302451938039323843285 | 2025-07-10T08:25:09 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.006327 | CO_1001866060971882334810721 | 10018660609718823348107218042134683423781863729407554591993848183475063990211461067176272251722571449905999484543153090748030805819958138851835317509846378 | 11876162763121318037349029871698944751806345086564630905364357321610905003617364406495048026874797844589064699235168014914542434337727618456261059588784983 | [
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... | [
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true,
true
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0.25,
0.125,
0.125
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65,
59,
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33,
33,
33,
33
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1,
1,
1
] | [
"alex_mp_test_agm004839400"
] | null | data/MD/6188/MD_5772316003663397190096188.json | null | null | null | {"alex_mp_file_key": "515429", "alex_mp_id": "alex<agm004839400>", "alex_mp_split": "test", "chemical_system": "As-Nd-Pr-Tb", "dft_bulk_modulus": NaN, "dft_mag_density": -7.928518081465157e-05, "hhi_score": 3403.735053266688, "input": "Please see original datasets Alexandria and MP-20 for configuration creation details... |
PO_4929326514041973203001490 | 4929326514041973203001490740011461766530065887444645789145161540431089401439970146559832250128637716659565334781522255010437725757587980760860492477331386 | 2025-07-10T08:13:06 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.0803 | CO_1709008290231511778310618 | 1709008290231511778310618989144556951325259382383524532430869865346731998117417687847747472423846442412677970716602449262228526782574004456741686081051337 | 3714641057400354336490672330067586665711333878756349314662546135063571651907070192313644072779739279226651991143553099907172962712801606873482118515468187 | [
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[
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[
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[
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] | [
true,
true,
true
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0.3333333333333333,
0.3333333333333333
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31,
42,
77
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1,
1,
1
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"alex_mp_test_agm001836233"
] | null | data/MD/0171/MD_3379131643677338185320171.json | null | null | null | {"alex_mp_file_key": "372941", "alex_mp_id": "alex<agm001836233>", "alex_mp_split": "test", "chemical_system": "Ga-Ir-Mo", "dft_bulk_modulus": NaN, "dft_mag_density": 6.090298537015138e-06, "hhi_score": 6678.580529786521, "input": "Please see original datasets Alexandria and MP-20 for configuration creation details.", ... |
PO_4929248931572012187682962 | 4929248931572012187682962098317588118512880595781841881824887371894527619348466045657122045178805346244552110840501071893988385725160360694541916788061569 | 2025-07-10T08:13:08 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.099656 | CO_1057226575745967665342613 | 10572265757459676653426138355071504230773954747430032018422125729412470752603758405264141624267080737858730627516745684379810804773760942620080303037904462 | 103139677220284040463616113042818889497854565721413171333925426379539612994503941171445507171202243331410562098249020904213385556128102440449053478837597 | [
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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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true,
true
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0.25,
0.25,
0.5
] | [
31,
27,
28,
28
] | 4 | 3 | 3 | [
1,
1,
1
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"alex_mp_test_agm001202598"
] | null | data/MD/8978/MD_1089935662058793104558978.json | null | null | null | {"alex_mp_file_key": "5989", "alex_mp_id": "alex<agm001202598>", "alex_mp_split": "test", "chemical_system": "Co-Ga-Ni", "dft_bulk_modulus": NaN, "dft_mag_density": 0.0009848456153955, "hhi_score": 1900.77968486768, "input": "Please see original datasets Alexandria and MP-20 for configuration creation details.", "ml_bu... |
PO_4929493821033639759106263 | 4929493821033639759106263784908211125712248928855730905052265271656613283625072925309478548509317303689528881760874044314936857034935196512823958093178759 | 2025-07-10T08:13:09 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | 1.1538 | unknown | null | null | null | null | null | 0.020107 | CO_3420227503040564152830109 | 3420227503040564152830109088526847772767206814872405955547043695798311385400190214473460393545835487491888603031424917328373923337117868175738514223200194 | 1855664341227836342070167436383841095568569490874438612371045561096866994761123385600054843997788627397284916390185746950107285511856185911512330348269714 | [
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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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... | [
true,
true,
true
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0.6,
0.2,
0.1
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37,
37,
47,
51,
35,
35,
35,
35,
35,
35
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1,
1,
1
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] | null | data/MD/3799/MD_1159797337000283665203799.json | null | null | null | {"alex_mp_file_key": "57385", "alex_mp_id": "mp-1110804", "alex_mp_split": "test", "chemical_system": "Ag-Br-Rb-Sb", "dft_bulk_modulus": NaN, "dft_mag_density": -4.789045766649118e-05, "hhi_score": 5566.712038507806, "input": "Please see original datasets Alexandria and MP-20 for configuration creation details.", "ml_b... |
PO_4929326920622938586312029 | 4929326920622938586312029131311694471559142950612852795349883721295376319954793532207913475213539077964964541805080791687934014338668645238916025967310821 | 2025-07-10T08:25:07 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.021505 | CO_3871124150163272973681615 | 387112415016327297368161573059485948916372169762273646382960980332400526199400571512347128132225914630856933785447708675592111758644014150695908635226454 | 1344677736792947008948732539124848456650115118532713942386635439330855812165254056255246081348496028073839590183539531058911849614731645144113483030714214 | [
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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,
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... | [
true,
true,
true
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0.6666666666666666,
0.16666666666666666
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65,
65,
65,
39,
68
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1,
1,
1
] | [
"alex_mp_test_agm003734697"
] | null | data/MD/6835/MD_6282047067268009239536835.json | null | null | null | {"alex_mp_file_key": "272725", "alex_mp_id": "alex<agm003734697>", "alex_mp_split": "test", "chemical_system": "Er-Tb-Y", "dft_bulk_modulus": NaN, "dft_mag_density": 7.515334609643297e-07, "hhi_score": 3050.1574086921664, "input": "Please see original datasets Alexandria and MP-20 for configuration creation details.", ... |
PO_4928016272794280679878792 | 4928016272794280679878792007643341724057383099135109967978076679939038307413447743731179028756499596684718842160571449017347238926273297513477204291039223 | 2025-07-10T08:07:36 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.012638 | CO_5327151859698738782285872 | 5327151859698738782285872783057813141819608006643902231567168761282684928234724822319416792919543900198370309504514616263648688081115245599438235651650859 | 10295177560758777424504578664648445919486323357500094300319076433402126400971976705686267294275031699275924306595313493519910838010795396022341079631016904 | [
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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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0.5,
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39,
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39,
21,
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16,
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16,
16
] | 16 | 4 | 3 | [
1,
1,
1
] | [
"alex_mp_test_agm004718476"
] | null | data/MD/2243/MD_2225280983959611231302243.json | null | null | null | {"alex_mp_file_key": "337224", "alex_mp_id": "alex<agm004718476>", "alex_mp_split": "test", "chemical_system": "Dy-S-Sc-Y", "dft_bulk_modulus": NaN, "dft_mag_density": 3.141645758174552e-07, "hhi_score": 2599.987056899834, "input": "Please see original datasets Alexandria and MP-20 for configuration creation details.",... |
PO_4928429263311735816440650 | 4928429263311735816440650455712470420719714120338983300334690999237277711274515078513593758885633282526561584065097751536584990793245615570569199366880621 | 2025-07-10T08:13:08 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0 | CO_4563015104254915728920381 | 4563015104254915728920381765737593685246061911016525305641542823888819574147673471241990798133890918719595082787125617292841285502670007103069582918631247 | 2069841593105820359937164700717453243840640089569608009628309856240227791631901988250248242984290719944615796762220494310183755420377249877169705975423835 | [
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[
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[
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[
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[
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[
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3.50304213993365... | [
true,
true,
true
] | InPSe4 | InPSe4 | A4BC | [
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0.16666666666666666,
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15,
34,
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34,
34
] | 6 | 3 | 3 | [
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1,
1
] | [
"alex_mp_test_agm002233661"
] | null | data/MD/3386/MD_2341706445834216857563386.json | null | null | null | {"alex_mp_file_key": "397808", "alex_mp_id": "alex<agm002233661>", "alex_mp_split": "test", "chemical_system": "In-P-Se", "dft_bulk_modulus": NaN, "dft_mag_density": -9.718486839214211e-07, "hhi_score": 2139.580218485919, "input": "Please see original datasets Alexandria and MP-20 for configuration creation details.", ... |
PO_4928316305091382643967272 | 4928316305091382643967272388291823150377316941610193289103788586572322969484310658291187933848318818521590885686464707464874663970260366801107131423989948 | 2025-07-10T08:21:11 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.040555 | CO_1739639741418917510029788 | 1739639741418917510029788012304204234630438845125160090094408854258537901948473368376349571825135332803105175176746416820742005927601398408946025719166252 | 7352611581961060777606532694456223122883271771883415528652142416974182001987643542088567307927954829432308737603690637197376338687508357630376915318204737 | [
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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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8.537537973627119,
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... | [
true,
true,
true
] | HNPb2Ti6 | HNPb2Ti6 | A6B2CD | [
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0.1,
0.1,
0.2,
0.6
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22,
22,
22,
22,
22,
1,
82,
82,
7
] | 10 | 4 | 3 | [
1,
1,
1
] | [
"alex_mp_test_agm004984193"
] | null | data/MD/7393/MD_6493655591192915309677393.json | null | null | null | {"alex_mp_file_key": "599224", "alex_mp_id": "alex<agm004984193>", "alex_mp_split": "test", "chemical_system": "H-N-Pb-Ti", "dft_bulk_modulus": NaN, "dft_mag_density": 0.0123765326675718, "hhi_score": 1694.2870454202134, "input": "Please see original datasets Alexandria and MP-20 for configuration creation details.", "... |
PO_4928608384084912926045948 | 492860838408491292604594806183550282552305012158206037246348828436870731155484527751401921710609172891215243040019138858083635764418706011712784175407079 | 2025-07-10T08:24:20 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | null | null | null | null | null | null | null | 0.066452 | CO_2939465911858182827944787 | 2939465911858182827944787890145587650927441266924944322985956811875352733293272004324709174557589896281254542028208605000544443493628769926725876947228376 | 1836992522682384832180369279061134361826247768375752947955048633627628470386404224220745860974482102185609466262619644788259984471462663606657042127127687 | [
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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,
... | [
true,
true,
true
] | AlCu7Tb2 | AlCu7Tb2 | A7B2C | [
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0.1,
0.7,
0.2
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65,
65,
13,
29,
29,
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29,
29,
29,
29
] | 10 | 3 | 3 | [
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1,
1
] | [
"alex_mp_test_agm003510718"
] | null | data/MD/9881/MD_9026919121956435646959881.json | null | null | null | {"alex_mp_file_key": "31156", "alex_mp_id": "alex<agm003510718>", "alex_mp_split": "test", "chemical_system": "Al-Cu-Tb", "dft_bulk_modulus": NaN, "dft_mag_density": 0.0003058811527778, "hhi_score": 2126.945727002902, "input": "Please see original datasets Alexandria and MP-20 for configuration creation details.", "ml_... |
PO_4928638882781975413265562 | 4928638882781975413265562197516783750058789386830587617981194457900248710220863792726465867517093678705290080302151472419758843814732289165601828898886884 | 2025-07-10T08:24:21 | DS_5rjlk0wubpsf_0 | 1 | VASP | PBE | null | null | null | null | 0 | unknown | null | null | null | null | null | 0.009391 | CO_3520985212221244717993898 | 3520985212221244717993898955712495655001429803668002228768162081493956591145281205122061035508231213745548657144068692837851468638732506943483345848007412 | 1367767046640484765018082793967880603630152225932949582569121478621018833886746328024606172261621639942987189055590574881796954082894179517220320219171025 | [
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[
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3.716713814... | [
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] | K4Mn6S8 | K2Mn3S4 | A4B3C2 | [
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1
] | [
"alex_mp_test_mp-29861"
] | null | data/MD/8278/MD_9467284214299562158348278.json | null | null | null | {"alex_mp_file_key": "157195", "alex_mp_id": "mp-29861", "alex_mp_split": "test", "chemical_system": "K-Mn-S", "dft_bulk_modulus": NaN, "dft_mag_density": 0.0660191703046396, "hhi_score": 2660.9718188534302, "input": "Please see original datasets Alexandria and MP-20 for configuration creation details.", "ml_bulk_modul... |
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