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76,
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PO_1039918894528466619762712 | 10399188945284666197627127302427350301626251127028312237199107771959689009821213036439613203375977059537950580926478641353669934381307237570020220407980257 | 2025-04-16T21:13:40 | DS_8hgxhsfkcfa7_0 | 1 | GPAW | DFT-PBE | -29.743788 | [] | [] | null | 0 | unknown | null | null | null | null | null | null | CO_8569008492397487480879395 | 8569008492397487480879395964205870221201834436044584191402879938828755321240211729264385640608227611651821795752935780029348554656253828307535774684863359 | 11714474680949228145424250867363970608007638763839362856562916444770245049421409731982884040134157029516505891094205749261611173564781021191821363913467330 | [
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true,
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76,
35,
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true,
true
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0.5
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16,
78,
16
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PO_5410991694997403829990329 | 5410991694997403829990329059263518411140433229966037715566331628293473009185239117893196687413027300463747231695467156201858765004806070186268294668203983 | 2025-04-16T17:32:29 | DS_8hgxhsfkcfa7_0 | 1 | GPAW | DFT-PBE | -12.158748 | [] | [] | null | 0 | unknown | null | null | null | null | null | null | CO_8166729747557842185196913 | 8166729747557842185196913109044477227049623464449733780903387425923793872832445872941366694252150932071512466242683922647745744326386665412116860109668105 | 10673671875317138663448184476256316910709412251759478217373293209763884392152427126678459446120659628655731696637559583568853840634176834272600950371791563 | [
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true,
true
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51,
16,
16
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true,
true
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] | [
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true
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PO_5499197219941613240509676 | 5499197219941613240509676830508214593397637673684582837146487378077801131329910251596474469003149234891452386745291617386662564005136764182712457859892796 | 2025-04-16T20:58:52 | DS_8hgxhsfkcfa7_0 | 1 | GPAW | DFT-PBE | -25.473094 | [] | [] | null | 0 | unknown | null | null | null | null | null | null | CO_2258589606741591374294043 | 2258589606741591374294043622502916054765411567606434375224398830529305139316943462385884400947570790614138178732742932796112045723462044699174659245887803 | 8614422966858061008644628494297312527884568874356130492658649151123792566835784854310709303550247801843538288393919907095258481117812608505466485185757658 | [
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true,
true,
true
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0.3333333333333333
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46,
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PO_5505619245300047102052957 | 5505619245300047102052957850684886708077614920990166740823270912814681162979263930643817619434049760873814929179239789262434573386612396477398315410714011 | 2025-04-16T16:41:55 | DS_8hgxhsfkcfa7_0 | 1 | GPAW | DFT-PBE | -25.095261 | [] | [] | null | 0 | unknown | null | null | null | null | null | null | CO_6955952726261970934862731 | 6955952726261970934862731863009531572558437564156426650127840612405276428988148930014166446905009378882182600561528330148606859287269646090731247555165625 | 5303984286150641111326197517824246445633266918600950459525710799428677189042098327525954783055095164077033907824257150337864830553268372468756368391647742 | [
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[
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10.684... | [
true,
true,
true
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0.5,
0.5
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40,
40,
34,
34
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PO_5505073137258824967879889 | 5505073137258824967879889305943220855455515015384897166564609941539389459760968886014769654650175711249980588406919412316528436288930018209668014857631928 | 2025-04-16T16:10:12 | DS_8hgxhsfkcfa7_0 | 1 | GPAW | DFT-PBE | -32.115735 | [] | [] | null | 0 | unknown | null | null | null | null | null | null | CO_7832010715827931370531489 | 7832010715827931370531489591395180918560151632769542055561279913098321202441342433815304657328234698562176927090312346946977739359095033199369933170684357 | 6225078032174666088182234182424974653061027134003362109778648096175766928226814688860330397012435616174509062242232974614054374060323711516375529118879976 | [
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true,
true
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0.6666666666666666
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42,
42,
52,
52,
52,
52
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[
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2.1922677111726063,
10.35821855704255... | [
true,
true,
true
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0.2,
0.2,
0.6
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82,
82,
15,
15,
52,
52,
52,
52,
52,
52
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0
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[
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3.085393208713215,
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true,
true
] | Br2Tl2 | BrTl | AB | [
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0.5,
0.5
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35,
35,
81,
81
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0,
0,
0
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PO_5508618381033270255347190 | 5508618381033270255347190522886130374422387726413208373737645021206113573368005411412943408964365967608029551831504739278767442050445988258732024883146224 | 2025-04-16T21:56:50 | DS_8hgxhsfkcfa7_0 | 1 | GPAW | DFT-PBE | -27.865868 | [] | [] | null | 2.606967 | unknown | null | null | null | null | null | null | CO_1241191127252291912430109 | 12411911272522919124301098541126902431698750204755805712279102310169813858778934203677741408662668381698606650208930045035289104355343040264691424142937318 | 3405701639072650148077355128723819315516211784838421236413938662781406732390680645010380835460015304573203134091144523697323752631549073919432832112748539 | [
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[
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10.30539... | [
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true,
true
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0.3333333333333333,
0.3333333333333333
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49,
49,
8,
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17,
17
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[
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[
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true,
true
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0.3333333333333333,
0.6666666666666666
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52,
52
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[
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true,
true
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0.5
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46,
46
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PO_1047012671080286635421953 | 1047012671080286635421953475918264706571423969101539152813572129163285449586351237273147775640477354664471360970559338313029338836747787736560088688736958 | 2025-04-16T15:42:40 | DS_8hgxhsfkcfa7_0 | 1 | GPAW | DFT-PBE | -68.243999 | [] | [] | null | 0 | unknown | null | null | null | null | null | null | CO_1066525668411838315536077 | 106652566841183831553607748040039768545890982764687761102775333524271194040694599324611529878774656080342463095254506414770487878052623919604709318630974 | 10314335128540091508357419804466007583478942132855524021896580832560021524075566335700993169268270274934954133540178271183701391609113952368953479698211210 | [
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[
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12.971742539... | [
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true,
true
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25,
35,
35,
35,
35,
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PO_1047512690147173159200434 | 10475126901471731592004348339020340931887352850138705123923978947971846920815015279475064319678786168760596483525972333995784798160931316008230807236206579 | 2025-04-16T15:09:29 | DS_8hgxhsfkcfa7_0 | 1 | GPAW | DFT-PBE | -43.314127 | [] | [] | null | 0 | unknown | null | null | null | null | null | null | CO_1155069616399625276280083 | 11550696163996252762800830733350658422814285937283199474954706507485722494004561328459388425176396257762312838399713223486108118497265955709605834914216043 | 9161027889107478066505723444089377216200672810940706549265794972691236283673265599974466325891019383106170915136367590098573866815186157767391288777075946 | [
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[
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true,
true
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0.2,
0.6
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78,
78,
15,
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52,
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52,
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PO_1047896077288656223059132 | 10478960772886562230591320391364919769751681553701941986220170258464580726681185668726667528298620563882223814739561025974310101687107695915226957633726846 | 2025-04-16T17:21:42 | DS_8hgxhsfkcfa7_0 | 1 | GPAW | DFT-PBE | -45.601213 | [] | [] | null | 0 | unknown | null | null | null | null | null | null | CO_6130260970444792198760183 | 613026097044479219876018365324736111116514980873555916275009503397643983306281722588787434429298807767342006360093882224894274349839161478788961319445331 | 9415791584139944266269236903629535667741998781016032569669646230214508846607837944821827685966973899002274488235500385746714515441280450556735270665022590 | [
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true,
true
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0.75,
0.25
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73,
73,
34,
34,
34,
34,
34,
34
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PO_1103286902780286721375650 | 11032869027802867213756501952521444204036389533104085167272817364724105749856362862490446753336274778557670559968291024681912354609725033046350902929579442 | 2025-04-16T16:50:51 | DS_8hgxhsfkcfa7_0 | 1 | GPAW | DFT-PBE | -39.351252 | [] | [] | null | 0.507473 | unknown | null | null | null | null | null | null | CO_1276131076031439599929509 | 12761310760314395999295095999095950927690970454735159107787056168987675894879682589541002895407808900899773022131621623113281933883381048584716354609387962 | 2699346560738805438312551932410392227645680060093236283815062729008017042385723328669925157762878537211849221171720045480230936960721611527606095861903873 | [
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... | [
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true,
true
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0.75,
0.25
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42,
42,
17,
17,
17,
17,
17,
17
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0
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PO_1046326983946589016489565 | 10463269839465890164895657391310895805936242014754392595104575712763934350163705470147310667230240891438701450396834138056432213190639888526319236130723297 | 2025-04-16T21:22:14 | DS_8hgxhsfkcfa7_0 | 1 | GPAW | DFT-PBE | -16.523432 | [] | [] | null | 0.788903 | unknown | null | null | null | null | null | null | CO_5866464712024058785444967 | 5866464712024058785444967109653904069663948157202062333252186257774766200267795334672753285602723106285918327318854061664176825798090085591939087192411621 | 13317972406145098566297865345172197550225122434962262065534949063969917659948580602058605360311274455422644307428803731767590705048850928395872235482926472 | [
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[
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... | [
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true,
true
] | Pb2Se2 | PbSe | AB | [
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0.5
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82,
82,
34,
34
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0,
0,
0
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PO_1047998910198806660897305 | 10479989101988066608973056129330206903588210703722510762186661940524496580096187512662780831764471303537005210460435204515375287351870192702506659353385744 | 2025-04-16T17:34:29 | DS_8hgxhsfkcfa7_0 | 1 | GPAW | DFT-PBE | -12.725519 | [] | [] | null | 0 | unknown | null | null | null | null | null | null | CO_8282422507202915280254949 | 8282422507202915280254949791012379111458678148611776931732828077484267379306470099494138710331931606440201738434080744116983563184409904209241928793907000 | 13028401548210349640769394163812493535919505954544338029267626044835440420215127761755105451383478955048549864070405839675427755300332056209689125000710399 | [
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[
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] | [
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true,
true
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0.3333333333333333,
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35,
53
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PO_1048120881170768627727838 | 10481208811707686277278381342479105180559309736523941210121655034849250588582086880162318764323054204017224949132730935408020249561565609356220863445087509 | 2025-04-16T17:45:47 | DS_8hgxhsfkcfa7_0 | 1 | GPAW | DFT-PBE | -23.540803 | [] | [] | null | 2.332987 | unknown | null | null | null | null | null | null | CO_1316841008179276790085111 | 13168410081792767900851110120233192836155300056070914440748504203176065862883740207770173318842164843458634705346444016509663994693857464617714896374795038 | 9414257554267701090628124116651890436508379221016325247031253352240461876770527203368303072745820372353530400002241765859062118935674522557763859342486198 | [
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[
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true,
true,
true
] | Br6Sb2 | Br3Sb | A3B | [
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0.25
] | [
51,
51,
35,
35,
35,
35,
35,
35
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PO_1048367925737362142009389 | 10483679257373621420093891085152831976965806151807648581854162816093317026207750820747268601354349678350006868774938964294695071963428160885294973924512248 | 2025-04-16T17:14:02 | DS_8hgxhsfkcfa7_0 | 1 | GPAW | DFT-PBE | -38.34921 | [] | [] | null | 0 | unknown | null | null | null | null | null | null | CO_4093908249732693563183712 | 4093908249732693563183712763271171986648175909937244007120133784839144654618380933308374821117679165062300659278755120577533531435424403038418034211906489 | 4606367954291568522590306374853234223581810828681591646824397054215365864239020186244005298021096763241736907283721905921744434467786026926700185329686969 | [
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true,
true,
true
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0.2,
0.4,
0.4
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42,
42,
5,
34,
34
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PO_1048335808236603531318319 | 10483358082366035313183190816720109407505811499096245899310790412447452577845687255526696318004923972396156051396513912151144898592185948098393195579015177 | 2025-04-16T18:41:25 | DS_8hgxhsfkcfa7_0 | 1 | GPAW | DFT-PBE | -26.264194 | [] | [] | null | 0 | unknown | null | null | null | null | null | null | CO_7824342681055960555153320 | 7824342681055960555153320266973469427993320897596860665138798280035284274288894838634653449978110142215670866144782366001310851908989541974355535568953329 | 12649199652602215755793720508755891234265795725410754871419744760078855494295312132793196508426835227230512194525203338719000637608254094186955179649426703 | [
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[
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14.0625843668333... | [
true,
true,
true
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0.5,
0.5
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41,
41,
52,
52
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0,
0,
0
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PO_5540843774927559189517190 | 554084377492755918951719085673536463424200964138932288640974414437362709237745859837020164042043141311788393369249927735132803036682531067622962530673361 | 2025-04-16T15:44:14 | DS_8hgxhsfkcfa7_0 | 1 | GPAW | DFT-PBE | -68.436467 | [] | [] | null | 0 | unknown | null | null | null | null | null | null | CO_1322063297389719932878195 | 13220632973897199328781956686646423555404484377689008496247402392687766263647658850447456368843945226922500806942601884997340157561457579191923595807323350 | 5546846481732016630655010706888817555790477489721510497327621033646893220933372444003318782586539052803951418784452514022177261770092728165724888570768324 | [
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[
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13.309982767... | [
true,
true,
true
] | C2H2Mn3O2 | C2H2Mn3O2 | A3B2C2D2 | [
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0.2222222222222222,
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6,
6,
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1,
1
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0
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PO_5541850568250626518228316 | 5541850568250626518228316193126175263673241913743867200611593431563290159277030544896390498080554691394449223942271848309035264188324392387018374270368784 | 2025-04-16T17:47:31 | DS_8hgxhsfkcfa7_0 | 1 | GPAW | DFT-PBE | -6.961606 | [] | [] | null | 0 | unknown | null | null | null | null | null | null | CO_9214259423939768147168067 | 9214259423939768147168067212892603650713016559084920982231547606886054187107282877890935280241798211181302249408894890489218284295120729478754012124807587 | 12049668066308732489857254634586840810160466680644093327380172130777750154877733294790644946385674478312877877964187631733285738312081507208868056451618420 | [
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[
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true,
true,
true
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0.6666666666666666,
0.3333333333333333
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51,
53,
53
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0
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[
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true,
true,
true
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] | [
0.125,
0.75,
0.125
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72,
25,
53,
53,
53,
53,
53,
53
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0,
0
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[
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true,
true
] | Cl2Ni2O2 | ClNiO | ABC | [
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0.3333333333333333,
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28,
8,
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17,
17
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0
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[
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] | [
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true,
true
] | NbTe2 | NbTe2 | A2B | [
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] | [
0.3333333333333333,
0.6666666666666666
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41,
52,
52
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0,
0
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[
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true,
true,
true
] | Cu2I2 | CuI | AB | [
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0.5
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53,
53,
29,
29
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true,
true
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0.5
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34,
34,
83
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true,
true
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[... | [
true,
true,
true
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0.75,
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34,
34,
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34,
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