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true,
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true
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49,
29
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78
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"U"
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0.5,
0.25,
0.25
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63,
92,
5,
5
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0,
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0
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PO_8668077683871468542848938 | 8668077683871468542848938437458605423607876592234592039687697004796349198306668341297199462246811158940425432307588645455696988020202567392831242784297307 | 2025-04-16T18:27:49 | DS_u8strp7hm0cy_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | null | null | null | null | null | null | null | null | CO_1383573552335503978206144 | 1383573552335503978206144040197751003881642916926938683148073349391573230376230841142687471755985636887638953871941276017349229782010927500375052160718370 | 9349190736544310459793859696154327561226484405040736762751253289761682877584869584023729959880909272394749626586382624782492570407437248507957744961982906 | [
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[
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true,
true,
true
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0.3333333333333333
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38,
40
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[
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true,
true,
true
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0.25,
0.5
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26,
26,
29,
29,
8,
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0
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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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67,
51
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[
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true,
true,
true
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0.25,
0.5,
0.25
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91,
91,
43,
76
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[
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true,
true
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0.42857142857142855,
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31,
31,
31,
31,
31,
31,
26,
26,
26,
26,
26,
26,
26,
26,
26
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0
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[
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] | [
true,
true,
true
] | BeHfSm | BeHfSm | ABC | [
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"Hf",
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] | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
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62,
72,
4
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0
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[
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] | [
true,
true,
true
] | NdReY2 | NdReY2 | A2BC | [
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0.25,
0.25,
0.5
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60,
39,
39,
75
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0
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[
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] | [
true,
true,
true
] | CsHoMg | CsHoMg | ABC | [
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0.3333333333333333,
0.3333333333333333,
0.3333333333333333
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55,
67,
12
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0
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PO_8665815659871386730690707 | 8665815659871386730690707109724875799606960116548858751469518994432123151084898852764227984962934620001689638347894901394539725868876884062234998805298519 | 2025-04-16T17:24:20 | DS_u8strp7hm0cy_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | null | null | null | null | null | null | null | null | CO_5720521588158593605033375 | 5720521588158593605033375432546443124248177853282106388113738423022964778263956559591415648807402798324558999410837681154960057162700359965299455215400912 | 11906698055662363213786930732669513868489481271382222289371709636049640352177807939772033453172206888879380943498240495398143988462749605273260506493453673 | [
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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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92,
32,
45
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[
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true,
true,
true
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0.25,
0.25,
0.5
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89,
72,
72,
24
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[
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true,
true
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0.5,
0.25,
0.25
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91,
49,
49,
74
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[
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[
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true,
true,
true
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0.25,
0.25,
0.5
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67,
14,
43,
43
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[
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0
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true,
true,
true
] | OsPdSc | OsPdSc | ABC | [
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0.3333333333333333,
0.3333333333333333,
0.3333333333333333
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21,
76,
46
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0
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0
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[
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] | [
true,
true,
true
] | LaTcY | LaTcY | ABC | [
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"Y"
] | [
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0.3333333333333333,
0.3333333333333333
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57,
39,
43
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0
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[
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] | [
true,
true,
true
] | OsSiTa2 | OsSiTa2 | A2BC | [
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] | [
0.25,
0.25,
0.5
] | [
73,
73,
14,
76
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[
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] | [
true,
true,
true
] | CdMnTc2 | CdMnTc2 | A2BC | [
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0.25,
0.25,
0.5
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25,
48,
43,
43
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0
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[
1.8257399999999995,
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1.8257399999999997
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] | [
true,
true,
true
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"H",
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] | [
0.25,
0.75
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52,
52,
52,
1
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0,
0,
0
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PO_8665343289244767036661070 | 8665343289244767036661070061770526572375859652632923996844403633792521545417128178563172608812303780746432609307776666214281294538329198598584551673133862 | 2025-04-16T17:29:43 | DS_u8strp7hm0cy_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | null | null | -0.382961 | null | null | null | null | null | CO_9704344409887074309266017 | 9704344409887074309266017596733343911586747148699357550103066852143513051650513846395163174003955355076095535707014474401789484128324589670213618174860445 | 2376374060672463266012686159783760153148961839504205146104833304295100008476612786674320326460898067714136824201108961930530389311365336526403535614640595 | [
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true,
true,
true
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"Pu",
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0.25,
0.25,
0.5
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94,
90,
90,
83
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PO_8665768961709593994317051 | 8665768961709593994317051981185084719648621621338053452223625999369041389793333937757054964296887095880979894650992297960187018640198913137732497176164514 | 2025-04-16T20:35:24 | DS_u8strp7hm0cy_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | null | null | null | null | null | null | null | null | CO_1022908021064564175361601 | 10229080210645641753616018511926325246183287779045837783032731825917155463531114961209713446627326299359561890282070674374247081178120419310573252817276395 | 7992242820257117118289501206295741492538463774304251722120533017182085184686205069876004010269803521022247664627314000971719578084507647145733639302176362 | [
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[
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true,
true,
true
] | HfHgSn | HfHgSn | ABC | [
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] | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
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72,
50,
80
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PO_8665232498121583031546231 | 8665232498121583031546231964961681796173054944527576984704408547338844768468007290828122522246864496677599233233878085675507895156074984898331050648824152 | 2025-04-16T21:09:01 | DS_u8strp7hm0cy_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | null | null | -2.462593 | null | null | null | null | null | CO_8058227596465283303486178 | 8058227596465283303486178578166729182988544036670564081435218516498046910083653504871604613936498521530630026674054114397472343968208157296705960844334381 | 3106905236184401000278911659682387725429309193097017573383364272729992026081696593009163439548993347592692770059390752817165679679986611888887577717659546 | [
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[
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true,
true,
true
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0.5,
0.25,
0.25
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71,
31,
31,
45
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[
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] | [
true,
true,
true
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0.25,
0.25,
0.5
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72,
76,
45,
45
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[
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true,
true,
true
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0.25,
0.25,
0.5
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63,
65,
22,
22
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true,
true,
true
] | Pb3Zr | Pb3Zr | A3B | [
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0.75,
0.25
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40,
82,
82,
82
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[
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true,
true
] | Bi2Mg3 | Bi2Mg3 | A3B2 | [
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0.4,
0.6
] | [
12,
12,
12,
83,
83
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0
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[
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] | [
true,
true,
true
] | AlFeW | AlFeW | ABC | [
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] | [
0.3333333333333333,
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26,
74
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PO_8665736133983530689169056 | 8665736133983530689169056970737488588408039850316906430652299707550176510709893852603769469775283929544095113812934625532490357337719211928312877700636525 | 2025-04-17T17:35:57 | DS_u8strp7hm0cy_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | null | null | -0.788821 | null | null | null | null | null | CO_1734112816452405020849180 | 1734112816452405020849180411311640247906913656270097133082544507611280476186011341950039021287539135700905327853385292869326266724527406101372433536404538 | 5376023112314840727929534847599562007084255608661344724361214519939374013916629316030633909998554302477354261173653340141418732756998821800025664738317146 | [
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[
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true,
true,
true
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0.25,
0.25,
0.5
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56,
62,
62,
51
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PO_8665936523069454093713626 | 8665936523069454093713626891464604116048793359218764618681298632818185478282873116826759311597866711523194858808965468948384334410058483048152891266443023 | 2025-04-16T16:49:48 | DS_u8strp7hm0cy_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | null | null | -0.213131 | null | null | null | null | null | CO_1245846616889810631180162 | 1245846616889810631180162178015588766355624840403326345935483433662554863754643766934487840210471472536869465622346786258128318391868023105535125656451757 | 8800278345933372015552704953062458048442398819540606702492374027248958318679810789322593896301853318414420977397921635230259038472865148188754555032091450 | [
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[
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true,
true,
true
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0.5,
0.25,
0.25
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11,
49,
31,
31
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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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70,
69,
33
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0,
0
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[
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true,
true,
true
] | AlHgPd | AlHgPd | ABC | [
"Al",
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] | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
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13,
80,
46
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0,
0
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0,
0,
0
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] | [
true,
true,
true
] | AgHfPm2 | AgHfPm2 | A2BC | [
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"Hf",
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] | [
0.25,
0.25,
0.5
] | [
61,
61,
72,
47
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0,
0,
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[
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0,
0
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[
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5.528256
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] | [
true,
true,
true
] | MoSrTm | MoSrTm | ABC | [
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"Sr",
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] | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
38,
69,
42
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0,
0
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[
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] | [
true,
true,
true
] | BNp2Zn | BNp2Zn | A2BC | [
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"Np",
"Zn"
] | [
0.25,
0.5,
0.25
] | [
93,
93,
30,
5
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0,
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0
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[
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[
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] | [
true,
true,
true
] | AsSnTb | AsSnTb | ABC | [
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"Sn",
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] | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
65,
50,
33
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0,
0,
0
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[
0,
0,
3.33535
]
] | [
[
1.514209999999999,
0.8742600000000005,
1.6676800000000012
],
[
0.000029999999999271234,
1.7484700000000013,
1.6676800000000012
],
[
0.000049999999999999874,
0.00008000000000000007,
0
]
] | [
true,
true,
true
] | B2Mo | B2Mo | A2B | [
"B",
"Mo"
] | [
0.6666666666666666,
0.3333333333333333
] | [
5,
5,
42
] | 3 | 2 | 0 | [
0,
0,
0
] | [
"CFID_OQMD_460k_343168"
] | null | data/MD/2242/MD_7500240424306317537592242.json | data/MD/2110/MD_5664664488240110187802110.json | null | {"desc": [5346.2, 4556.4384, 4.262500000000001, -46.490500000000004, 0.0, 45.680274999999995, 3.5, 473.68874500000004, 0.12856381561417532, -2615.0, 10.56775, 1.0488600000000001, 160.3565, 0.0, -75.5, 53.91726618705036, 2.593, 4562.885, 0.0, 104.39999999999999, 452.0, 137.25, 0.0, -13.15, 0.0, 104.39999999999999, 137.2... | {"input": {"ediff": {"value": 0.001, "units": "eV/atom"}, "ediffg": {"value": 0.01, "units": "eV/atom"}, "encut": {"value": 520, "units": "eV"}, "ibrion": 1, "ismear": {"relaxation": -1, "static": -5}, "kpoint-scheme": "gamma-centered", "sigma": 0.2}, "hash": "75002404243063175375922425692039218076309306815206854843483... |
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