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77
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PO_4139298780052569290139965 | 4139298780052569290139965016115578907053013366537763821194636783190779727137007554951036722660536313443189218744832707716034732083429319301479242023744386 | 2025-04-16T21:37:22 | DS_8hgxhsfkcfa7_0 | 1 | GPAW | DFT-PBE | -14.567113 | [] | [] | null | 0 | unknown | null | null | null | null | null | null | CO_1266886002747507588091418 | 1266886002747507588091418538005584625914053341701436909786608968545968137130115536011426020922048548253014925059708802644918114881660203765725822071904227 | 5482094204488466781307972780335630328735017623742425092240423064149517863891476754055590423526106838707162024123826531449961005597046077306361029875778031 | [
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true,
true
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0.6666666666666666
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27,
1,
1
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true,
true
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20,
35,
35
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PO_4144526480513475283434815 | 4144526480513475283434815430831609940142516373640817148272421658021796479104059187360269791196897536293203839446664013447549419695430435083653380169077768 | 2025-04-16T17:11:09 | DS_8hgxhsfkcfa7_0 | 1 | GPAW | DFT-PBE | -14.791548 | [] | [] | null | 0 | unknown | null | null | null | null | null | null | CO_1057517268972024062990368 | 10575172689720240629903680437767471135003551968775947251448981525870431375203435418269564184907287482950282305207873282079568876261487839526260578170302892 | 3558024463194077741370110830344389048731577594282222646015035394073426407754650374318242114355419777782940911364593654717742169410122018814514885225982042 | [
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true,
true
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0.6666666666666666,
0.3333333333333333
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42,
35,
35
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PO_4164659237768729172750069 | 4164659237768729172750069495394562010005450081681514151838696912057075968812379996501505501059363362478415864369355768586111844128669837198754068704782518 | 2025-04-16T20:03:41 | DS_8hgxhsfkcfa7_0 | 1 | GPAW | DFT-PBE | -13.630121 | [] | [] | null | 0 | unknown | null | null | null | null | null | null | CO_1063926754554431001369703 | 1063926754554431001369703094984731480044931466498375296127941994097577733826475516931473700068161848075708616624762933973804993259048794456438704077124704 | 2730676559219489538699549964973409669706024526976915170218881094410759015022484228983524553178108796803641308542197047603040618652974967372827668471891747 | [
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[
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true,
true
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0.3333333333333333
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41,
53,
53
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PO_4167455514488976605631671 | 4167455514488976605631671866524769180609474784672183451389373155778127054002353754335379996069163116103933151185863827099832741386957707310387600456131276 | 2025-04-16T16:46:17 | DS_8hgxhsfkcfa7_0 | 1 | GPAW | DFT-PBE | -20.039727 | [] | [] | null | 0 | unknown | null | null | null | null | null | null | CO_6461055169094681240406134 | 6461055169094681240406134197506539610671712875690720848786109969260950133284480549067264630444031901266717122599036083685812198535408839125935598865170409 | 9987717151009775406430447028405704505528908003587151496004671048460379212290300662257904185558494687152978799124912094707552736836574290170706852879369318 | [
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[
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true,
true,
true
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0.3333333333333333,
0.3333333333333333,
0.3333333333333333
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42,
33,
83
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0
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true,
true
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0.3333333333333333,
0.6666666666666666
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79,
8,
8
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true,
true
] | Cr4N3 | Cr4N3 | A4B3 | [
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24,
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true
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0.6666666666666666,
0.3333333333333333
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38,
35,
35
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true
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8,
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] | Cl2GaNi5 | Cl2GaNi5 | A5B2C | [
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PO_4276319711716033796664577 | 4276319711716033796664577521445439886823290154025830920961430702926689504311384349096477847721833536230972349266651969321535452455362714720950239132959103 | 2025-04-16T20:10:51 | DS_8hgxhsfkcfa7_0 | 1 | GPAW | DFT-PBE | -26.756256 | [] | [] | null | 0 | unknown | null | null | null | null | null | null | CO_8299593432756429233021223 | 8299593432756429233021223439389776376390009949945840605061650967091536526535708951218637724506229391063902318528728632392301066418713056263891192165889334 | 2643313776849778179800997833683177898948773318503130834052155966320260207837833119013642871367200698041209731011539121821732919551991774936245230120746672 | [
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PO_4264129015942677154826028 | 4264129015942677154826028433804708588349952099988979091024049425274534549668813644900535338805286280776302511555671722146769102231920088526858410778713031 | 2025-04-16T17:54:49 | DS_8hgxhsfkcfa7_0 | 1 | GPAW | DFT-PBE | -20.913334 | [] | [] | null | 0 | unknown | null | null | null | null | null | null | CO_6329280944959174386089676 | 6329280944959174386089676897686390702327106575349128814783360450189985922470398356068706495857060591696631282513695167381615681500019964679609331692065642 | 5561543068775947894515200762896208942051932430566048643668043948167217826673176809040305593819199930055232248984966480959478988490661218718513624363886622 | [
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true
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0.5
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45,
52,
52
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PO_4272885990918095658054631 | 427288599091809565805463193020680925686882264945997794693869770804110513254823999942110202145829022706233376942987813069256724387797658720142891565427951 | 2025-04-16T21:13:01 | DS_8hgxhsfkcfa7_0 | 1 | GPAW | DFT-PBE | -24.487433 | [] | [] | null | 1.060118 | unknown | null | null | null | null | null | null | CO_1271459650329759641848758 | 12714596503297596418487583592151356409962625783125483847983384045993490779456806515748882063479735020577993013938294335644813047622929558214630674324806436 | 6801433782891993239517060668654057059220554177035410618234804892157286509424870304067407216483621210193319809364873681352126039586054624947582663648907459 | [
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16
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[
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true,
true
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0.5
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9,
9,
21,
21
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true,
true
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0.5,
0.5
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41,
52,
41,
52
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0
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PO_4299733901997600787188641 | 429973390199760078718864155946945641479794169739623075900388019396354696404273420914953232757639190027416711464049425204997844127783719595646378144867817 | 2025-04-16T21:51:46 | DS_8hgxhsfkcfa7_0 | 1 | GPAW | DFT-PBE | -12.033161 | [] | [] | null | 0 | unknown | null | null | null | null | null | null | CO_8779435259747064051241093 | 8779435259747064051241093824369902716271048159968505951632810624197574059174339533150474528703719086980100780075338363269507108161540563369213795136845640 | 2902755003220358006045413235546731941738834134586146557034556665600802751895034260082154428737626211597410926426592648148017359017763687176727573620075362 | [
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true,
true
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0.5,
0.5
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79,
52,
52,
79
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[
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true,
true
] | Ga2I2Se2 | GaISe | ABC | [
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31,
34,
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53,
53
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0
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true,
true
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0.3333333333333333,
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33,
51
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0
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35,
35
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74
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17,
17
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true,
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16,
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16
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PO_4359486672348003534176406 | 4359486672348003534176406674813384388886907254780876691457822082745687076357341936396987722348055666952005655370744339515367012022451906895550301329987561 | 2025-04-16T19:57:22 | DS_8hgxhsfkcfa7_0 | 1 | GPAW | DFT-PBE | -12.436276 | [] | [] | null | 0 | unknown | null | null | null | null | null | null | CO_1247602999093091640807475 | 12476029990930916408074757466193644211972996826836820508568193868960057118092866652625588925019592418776681289312774829460461093235546083703947322879374303 | 7711415882750703820295215873573213753334868934663201822621424566353641157786357004270908317756534692893166510077210384826680165585564058171004931446134534 | [
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true,
true
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17,
17
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25
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true
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0.5
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9,
44,
44
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52,
52
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0.5
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34,
81,
81
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