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PO_1053824116138307450825280 | 10538241161383074508252802060553662076985352892291137952510190728272590894255351442357920802089629490587591959660236255897039083729594859861500609850292168 | 2025-04-16T21:37:22 | DS_8hgxhsfkcfa7_0 | 1 | GPAW | DFT-PBE | -8.438801 | [] | [] | null | 0.462631 | unknown | null | null | null | null | null | null | CO_6123651486024464368574368 | 6123651486024464368574368189120407495130503241632706233691004201956350971919668559389019991524617446633601874741729784880657437735919170936870984056525403 | 5073653073284504358550641822778956833875143503104551683510024217817152914116365516509993217326019703502922768157159570376430859619445958137511808262159178 | [
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PO_1052969228814782081738641 | 10529692288147820817386411995814825623548788103033154793799602430265030672262389776759585676441432898011017796777633688484939182711313219508768796797408535 | 2025-04-16T19:03:17 | DS_8hgxhsfkcfa7_0 | 1 | GPAW | DFT-PBE | -38.771902 | [] | [] | null | 4.316791 | unknown | null | null | null | null | null | null | CO_1047182031888356847161277 | 1047182031888356847161277600451944738998885260487969899523489141214823848916933931817023204987184904906083473138357333932317444554898216948353421012024024 | 6510875810623039214277538741521604725493005176101378964720401711533210142024877765600207342370495055558927688961631994539683493030593814515895658206223189 | [
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PO_1052681153364787615927471 | 10526811533647876159274719399813700931406175796420990899555383783699029224331116647995911866396569170339924794004463179802831545669469503981723609411581337 | 2025-04-16T15:14:08 | DS_8hgxhsfkcfa7_0 | 1 | GPAW | DFT-PBE | -73.616866 | [] | [] | null | 0.677026 | unknown | null | null | null | null | null | null | CO_1098032142856017533539983 | 10980321428560175335399838289922101998202034124091810977882486967399126211181358347617722537266910277686145282358102535737986298112433712896787412257794675 | 7829259340825161535009282401466010869053963540468457086967671164034485284207091914939609876617484910511493055753086628952884051799922495118829692702186074 | [
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PO_4530612934825728237951089 | 4530612934825728237951089905884561476149813994846692046755851450806760865569583653373026943446179820550289812085927330608067039313587927585334908974399051 | 2025-04-16T17:47:45 | DS_8hgxhsfkcfa7_0 | 1 | GPAW | DFT-PBE | -47.499868 | [] | [] | null | 0 | unknown | null | null | null | null | null | null | CO_1026133293061000273706215 | 10261332930610002737062152862911056162790281036623911401251314468789568088866649659163080290790057659923080520662232042465601725857509190784952549576767166 | 3092482482082578968979479451853324495068464334759018046063593799661187619981697861346092280995388428138433645813475792539744432274878726465600774768780809 | [
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true,
true
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true,
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0.5
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35,
21,
21
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50,
17,
17
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true,
true
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7,
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1
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true,
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PO_1053081587675711525384760 | 10530815876757115253847609104231052543821919373248093028907649797457356410630087400001875009598135492090646681060650084073762269414468145375482600818365518 | 2025-04-16T16:07:46 | DS_8hgxhsfkcfa7_0 | 1 | GPAW | DFT-PBE | -36.76285 | [] | [] | null | 3.233478 | unknown | null | null | null | null | null | null | CO_7910771925744522377433813 | 7910771925744522377433813960263496910388504233615770295501798845056368349488141649472896895103218489052289645213027446311665133208543319601131955466982459 | 2813043218715971889810029505000792527102874388980948376443089695564801408583608200690062825588148474916077408624519455645965430901949429746277540274075114 | [
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PO_1057928474045042261700554 | 1057928474045042261700554481242227030199149421481760818806586301763916519377125797317593103447242171918921752134379085895379957992988600089038066541973387 | 2025-04-16T15:18:43 | DS_8hgxhsfkcfa7_0 | 1 | GPAW | DFT-PBE | -30.464559 | [] | [] | null | 0 | unknown | null | null | null | null | null | null | CO_3856291660223283380823022 | 3856291660223283380823022742751067291716665878836703050950625500727438577269324690106203598168877999734679306300870324517997742013566638022317502416597957 | 7617889008439912467537510814333495814837161399813178793483201716013030442047455522958963120461380326165602413390922228210733214601581222012351843644680740 | [
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true,
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PO_1018052706858903473206058 | 10180527068589034732060588433178080112089557273429405060276121302626053341808222481552855188962902592962707647005079110201049942923839308932808492249327169 | 2025-04-16T21:57:13 | DS_8hgxhsfkcfa7_0 | 1 | GPAW | DFT-PBE | -29.692726 | [] | [] | null | 0.15683 | unknown | null | null | null | null | null | null | CO_1424523035480699069346229 | 1424523035480699069346229063206014735101478726406355163818239922903826012447042595050088028298438421938713537220770352053992575887176772443363987365324983 | 2389168419458148246698592298486054658850656244754157820846334060797374190606058989264123105786273986777318235909814174850654453977170704410307628619641912 | [
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true,
true
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PO_1058003577340255547571382 | 10580035773402555475713829908792951327031608399390432094197300193363418032574972406470662322143308203305888828716124095456180483748847485469845993011016614 | 2025-04-16T16:29:45 | DS_8hgxhsfkcfa7_0 | 1 | GPAW | DFT-PBE | -34.348801 | [] | [] | null | 0 | unknown | null | null | null | null | null | null | CO_4490437225139430917121064 | 4490437225139430917121064064585178244236500709268076062113959992314042955209632304248865622116868121132526531588337256847864439688567143776153481646232431 | 12127191633453989127618809663349124385812595318706032854070940078976528397395396613386450027465428604084629101003720364995349847362940560714771240816627234 | [
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true
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[
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10.706489497843... | [
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true,
true
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24,
15,
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34
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[
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35,
19,
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true
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PO_4630984672856313794416793 | 463098467285631379441679352450165962464934083590857450452995541336681336406732970419772466649034638987730984352829029089784912510361697661530725266526732 | 2025-04-16T21:43:25 | DS_8hgxhsfkcfa7_0 | 1 | GPAW | DFT-PBE | -21.46303 | [] | [] | null | 0 | unknown | null | null | null | null | null | null | CO_8385940362887833534655584 | 8385940362887833534655584702162312471391567517514942661826120433959153578895850944189038520229954038209898172791336784974048021586105648072807400025579478 | 6657660100080103897643353080560287936058603216879654969976498348588959077766299534555959705324418415542023513028033265211230082534602874200209876927139204 | [
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28,
52,
52
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PO_4645812579303658784709242 | 4645812579303658784709242217856992679810577097072478260979107975676861377995661029709013451114477660198555724876949148543609252691170789101180091282017970 | 2025-04-16T15:40:54 | DS_8hgxhsfkcfa7_0 | 1 | GPAW | DFT-PBE | -21.040748 | [] | [] | null | 0.666159 | unknown | null | null | null | null | null | null | CO_2026632912778591979063294 | 2026632912778591979063294733982415981192027083298312990801222517787012594729530159073196402052963855747297634661667289299996422958972032688397308591713678 | 11451430798029488923681304707222155418567480918577581293131876369788055690790720789464246700699826097494062978075033367692686493555656777536873208841309838 | [
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true,
true
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0.5
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14,
14,
9,
9
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PO_4646928937703840293170053 | 4646928937703840293170053626778068242031837502790033373791572552114436660931802520593864222419054486547347364023145831006296394274343498903603219466472482 | 2025-04-16T21:30:02 | DS_8hgxhsfkcfa7_0 | 1 | GPAW | DFT-PBE | -21.810305 | [] | [] | null | 0 | unknown | null | null | null | null | null | null | CO_9665556005634324016520977 | 9665556005634324016520977224679350002836975269804902258501086876010268267350555457932702822316890330933503729638223512035919963612428050374424320744768235 | 9597573514380183139090869120258897433703142818284494274852762185309850706890057251933871105257821609491151868711239082673180608026468421686846199577747581 | [
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true,
true
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0.5,
0.5
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45,
34,
34,
45
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PO_4649423658900409336390361 | 4649423658900409336390361070378161354187033671088675923617654096527886944293981684844135138586402816364574468137313302555569922834536857040685269274932474 | 2025-04-16T15:44:31 | DS_8hgxhsfkcfa7_0 | 1 | GPAW | DFT-PBE | -27.176488 | [] | [] | null | 0 | unknown | null | null | null | null | null | null | CO_4188529668671182565298416 | 4188529668671182565298416182768113689313268281116019930356606058314783201142643917826447242512366106120517066942298150851938715933084884232545835624384935 | 11649431667121811119609034118206420421223832159167788800127113144764159123968869734584770885214856505779371267694897587889808629099920192085379077565840221 | [
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[
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true,
true
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0.3333333333333333
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73,
8,
8
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PO_4649242089812044224753961 | 4649242089812044224753961240887464745695398994469817635832266622474635937391893401189778578098946202759504660182492683695445841492728398895585044605004092 | 2025-04-16T16:32:22 | DS_8hgxhsfkcfa7_0 | 1 | GPAW | DFT-PBE | -53.100592 | [] | [] | null | 0.468786 | unknown | null | null | null | null | null | null | CO_6453774470504345124025090 | 6453774470504345124025090007956492527040213203800051071067951102323976111321901028182241914470983747531800921264781715919219712593569134055260536807696889 | 370754595730735134144124408614258459329860411002451599700585146532030259689771451811901170223916345757385392614259723676109212705255620604860707569330290 | [
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true,
true,
true
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0.2,
0.2,
0.6
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72,
72,
15,
15,
34,
34,
34,
34,
34,
34
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PO_4635325071725602944152853 | 4635325071725602944152853467648821958507934031896865413207337816029843022169658532795106288869630769756815264454073200842037369989233092753465029378852904 | 2025-04-16T17:54:22 | DS_8hgxhsfkcfa7_0 | 1 | GPAW | DFT-PBE | -26.089529 | [] | [] | null | 0 | unknown | null | null | null | null | null | null | CO_9691678858830482113339903 | 969167885883048211333990367014986970066464712592628861040243764536396207557050874638470356024336860711831192635699143075147720914493315669349938694382220 | 825874908394799296692183528432225777364786890861971052651013443905687945063931516526686508892777335995671509145586518535458702318161703112925744202452478 | [
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[
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8.462... | [
true,
true,
true
] | Os2Te2 | OsTe | AB | [
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] | [
0.5,
0.5
] | [
76,
52,
52,
76
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0,
0,
0
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[
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true,
true
] | Cl2Sn2 | ClSn | AB | [
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0.5,
0.5
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17,
17,
50,
50
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0,
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0
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true,
true
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0.25
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22,
22,
35,
35,
35,
35,
35,
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PO_4660453891458842134760035 | 4660453891458842134760035368025680519116450047778306418447499448982014315686071578728278318407832747310450481257322487512587399893375892425673008063261586 | 2025-04-16T17:07:03 | DS_8hgxhsfkcfa7_0 | 1 | GPAW | DFT-PBE | -14.406902 | [] | [] | null | 0.373876 | unknown | null | null | null | null | null | null | CO_1007233810133569047034266 | 10072338101335690470342666861814956771933491546870024698259557036472729079600536800843147097034860977325033081891011174985021103960325373180822998659555323 | 3517499648051098124177576397389214814482129405838322109489401380863360150859878675126547387380946379339057022663511277319448192749839958661654922005984948 | [
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17,
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PO_4660554734624791498999277 | 4660554734624791498999277389050331496084133122899538328077570454276199939455124984610589050523660963389730919366456995288612218775308676667026720218826251 | 2025-04-16T18:03:02 | DS_8hgxhsfkcfa7_0 | 1 | GPAW | DFT-PBE | -27.270074 | [] | [] | null | 0 | unknown | null | null | null | null | null | null | CO_1542989329464825552788909 | 154298932946482555278890912165216377564502106462305323113738801584095454982287276904548381848246008690478532928522487362325830556760579538755444768672357 | 13373620947266970910071908574834492140103548186599200657988278177653296679362060522698617963161055419401341875983819631222028920979516731876894703552899492 | [
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true,
true,
true
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PO_4654048653934948390681708 | 4654048653934948390681708181386250568678432042554000738843362920308348298834127757393430775266632592097970762348843691304179981562350311739062626283986567 | 2025-04-16T16:32:54 | DS_8hgxhsfkcfa7_0 | 1 | GPAW | DFT-PBE | -9.776592 | [] | [] | null | 1.786484 | unknown | null | null | null | null | null | null | CO_1114168244533184355085198 | 1114168244533184355085198354331273099137714250926285816467718188558852049453045412459429787789448287089385124949404708954009198212032775931391704147089563 | 167920309614229705615590432790354936703628525936841610776382747471144557350114311487053675854605585949229521858692457045961132592326976495689203586889140 | [
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true,
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0.5
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53,
31,
31
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PO_1019574875228046288146836 | 10195748752280462881468367417415312419189240302051583093346062497087262335617143058252877458373705200063968754316428045927218745832715251495235560205442568 | 2025-04-16T17:58:24 | DS_8hgxhsfkcfa7_0 | 1 | GPAW | DFT-PBE | -21.639356 | [] | [] | null | 0.039525 | unknown | null | null | null | null | null | null | CO_9768709793631028487356423 | 9768709793631028487356423414013891700507053857565065239982041223643676514415157119302439582947686289503462599446812431477807272382304726249607811120083052 | 1232933353924644665189569855078510905341428332547731911350251911267701864258703548985251597100494479861558459425424000545992240972125222571560877826372113 | [
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9.3... | [
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true
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52,
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72
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PO_1060130028871516184072538 | 10601300288715161840725383642403457895131790801368130759863318321222629115133057423674953100948484329750547814101056427296528114487253316545766783189394605 | 2025-04-16T21:12:08 | DS_8hgxhsfkcfa7_0 | 1 | GPAW | DFT-PBE | -88.656258 | [] | [] | null | 1.559257 | unknown | null | null | null | null | null | null | CO_5179052650323706543339879 | 517905265032370654333987937264796883727240569802040672249786577443329019623331805229504232446712024460650092404459176061728801888491642095884909762270703 | 12267990040432613737105764704538151695804165974534655556231922525465100873547287711669311968534849147187503484880226630074242214745116349087331278055581479 | [
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true
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true
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34,
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53
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