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{
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"structure_string": "Li2 V2 F8\n1.0\n6.606522 0.002365 0.003206\n3.305626 -4.421104 -0.574648\n3.305626 0.754996 -4.393901\nLi V F\n2 2 8\ndirect\n0.250001 0.249957 0.750042 Li\n0.750001 0.750041 0.249958 Li\n0.000001 -0.000000 0.500000 V\n0.500001 0.499999 -0.000000 V\n0.058484 0.750055 0.250021 F\n0.000012 0.705240 0.794730 F\n0.499991 0.205270 0.294759 F\n0.441518 0.749978 0.249944 F\n0.558484 0.250019 0.750055 F\n0.500012 0.794727 0.705241 F\n0.999991 0.294757 0.205270 F\n0.941519 0.249942 0.749979 F\n",
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{
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{
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"structure_string": "Ho12 Al20 O48\n1.0\n9.840839 -0.000000 -3.479262\n-4.920419 8.522416 -3.479262\n-0.000000 -0.000000 10.437786\nHo Al O\n12 20 48\ndirect\n0.250000 0.375000 0.125000 Ho\n0.250000 0.875000 0.625001 Ho\n0.875000 0.625000 0.250000 Ho\n0.625000 0.875000 0.750001 Ho\n0.875000 0.750000 0.625001 Ho\n0.625000 0.250000 0.875001 Ho\n0.375000 0.750000 0.125000 Ho\n0.750000 0.125000 0.375000 Ho\n0.125000 0.375000 0.750000 Ho\n0.375000 0.125000 0.250000 Ho\n0.125000 0.250000 0.375000 Ho\n0.750000 0.625000 0.875001 Ho\n0.250000 0.125000 0.875000 Al\n0.750000 0.875000 0.125000 Al\n0.375000 0.250000 0.625000 Al\n0.625000 0.375000 0.250000 Al\n0.125000 0.750000 0.875001 Al\n0.875000 0.125000 0.750000 Al\n0.750000 0.375000 0.625001 Al\n0.125000 0.875000 0.250000 Al\n0.875000 0.250000 0.125000 Al\n0.375000 0.625000 0.750001 Al\n0.000000 0.000000 0.000000 Al\n0.625000 0.750000 0.375001 Al\n0.000000 0.500000 0.000000 Al\n0.000000 0.000000 0.500000 Al\n0.500000 0.000000 0.000000 Al\n0.250000 0.625000 0.375000 Al\n0.500000 0.000000 0.500000 Al\n0.500000 0.500000 0.000000 Al\n0.500000 0.500000 0.500000 Al\n0.000000 0.500000 0.500000 Al\n0.679344 0.097468 0.978674 O\n0.200669 0.118794 0.021326 O\n0.118794 0.021326 0.200669 O\n0.179344 0.478674 0.597468 O\n0.299331 0.320656 0.918125 O\n0.381206 0.581876 0.902533 O\n0.597468 0.179344 0.478674 O\n0.320656 0.918125 0.299332 O\n0.978674 0.679344 0.097468 O\n0.918124 0.118794 0.597468 O\n0.097468 0.618794 0.418125 O\n0.679344 0.081876 0.700669 O\n0.402532 0.820657 0.521327 O\n0.618794 0.418124 0.097468 O\n0.700669 0.679344 0.081876 O\n0.820656 0.521326 0.402533 O\n0.881206 0.978674 0.799332 O\n0.418124 0.820657 0.799332 O\n0.799331 0.881206 0.978675 O\n0.700669 0.521326 0.618795 O\n0.081876 0.700669 0.679344 O\n0.618794 0.700669 0.521327 O\n0.521326 0.402532 0.820657 O\n0.521326 0.618794 0.700670 O\n0.402532 0.081876 0.881206 O\n0.820656 0.799331 0.418125 O\n0.418124 0.097468 0.618794 O\n0.581876 0.179344 0.200669 O\n0.081876 0.881206 0.402533 O\n0.881206 0.402532 0.081876 O\n0.118794 0.597468 0.918125 O\n0.320656 0.902532 0.021327 O\n0.902532 0.021326 0.320657 O\n0.200669 0.581876 0.179344 O\n0.021326 0.200669 0.118794 O\n0.299331 0.478674 0.381206 O\n0.918124 0.299331 0.320657 O\n0.581876 0.902532 0.381206 O\n0.381206 0.299331 0.478674 O\n0.478674 0.381206 0.299331 O\n0.597468 0.918125 0.118795 O\n0.179344 0.200669 0.581876 O\n0.021326 0.320656 0.902533 O\n0.978674 0.799331 0.881207 O\n0.799331 0.418124 0.820657 O\n0.097468 0.978674 0.679344 O\n0.478674 0.597468 0.179344 O\n0.902532 0.381206 0.581876 O\n",
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"id": "jvasp-67585",
"created_at": "2022-09-04T14:35:56.638283Z",
"updated_at": "2022-09-04T14:35:56.638301Z",
"structure_string": "Li1 Be1 Fe1\n1.0\n-1.238126 1.238126 5.354038\n1.238126 -1.238126 5.354038\n1.238126 1.238126 -5.354038\nLi Be Fe\n1 1 1\ndirect\n0.663525 0.663525 0.000000 Li\n0.985738 0.985738 0.000000 Be\n0.350738 0.350738 0.000000 Fe\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Li",
"Be",
"Fe"
],
"chemical_system": "Be-Fe-Li",
"density": 3.631544892613777,
"density_atomic": 0.0913797839357699,
"volume": 32.830018531327184,
"volume_molar": 6.590233091635359,
"formula_full": "Li1 Be1 Fe1",
"formula_reduced": "LiBeFe",
"formula_anonymous": "ABC",
"energy_above_hull": 1.8016672,
"spacegroup": 107
}
]
}