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"structure_string": "Cu4 Sb4 Pb4 S12\n1.0\n7.876434 0.000022 0.000043\n0.000032 8.215228 0.000077\n-0.000016 -0.000070 8.761485\nCu Sb Pb S\n4 4 4 12\ndirect\n0.242832 0.277932 0.428813 Cu\n0.742835 0.722069 0.928809 Cu\n0.757166 0.277930 0.428803 Cu\n0.257173 0.722069 0.928813 Cu\n0.499994 0.073093 0.054332 Sb\n-0.000000 0.926906 0.554335 Sb\n0.500004 0.490272 0.664169 Sb\n0.000000 0.509727 0.164169 Sb\n0.499998 0.559320 0.184661 Pb\n0.000000 0.440680 0.684662 Pb\n0.499999 0.926649 0.502453 Pb\n0.999992 0.073353 0.002452 Pb\n0.499998 0.232487 0.298277 S\n0.000003 0.767513 0.798281 S\n0.000003 0.238187 0.288172 S\n0.265185 0.564852 0.484476 S\n0.500002 0.761812 0.788173 S\n0.234815 0.435147 0.984470 S\n0.763232 0.108139 0.644183 S\n0.734818 0.564852 0.484470 S\n0.236762 0.108138 0.644188 S\n0.765182 0.435146 0.984475 S\n0.263230 0.891864 0.144186 S\n0.736759 0.891861 0.144185 S\n",
"nsites": 24,
"nelements": 4,
"elements": [
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"Sb",
"Pb",
"S"
],
"chemical_system": "Cu-Pb-S-Sb",
"density": 5.72565710155903,
"density_atomic": 0.04233350824450684,
"volume": 566.9267914528256,
"volume_molar": 14.225470578100335,
"formula_full": "Cu4 Sb4 Pb4 S12",
"formula_reduced": "CuSbPbS3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 1.247697895,
"spacegroup": 31
},
{
"id": "jvasp-112275",
"created_at": "2022-09-04T14:38:26.582470Z",
"updated_at": "2022-09-04T14:38:26.582497Z",
"structure_string": "La6 Bi8 Au6\n1.0\n8.513584 -0.000000 -3.010007\n-4.256792 7.372980 -3.010007\n-0.000000 -0.000000 9.030020\nLa Bi Au\n6 8 6\ndirect\n0.875000 0.250000 0.124999 La\n0.625000 0.750000 0.374999 La\n0.250000 0.125000 0.875000 La\n0.750000 0.375000 0.625000 La\n0.125000 0.875000 0.250000 La\n0.375000 0.625000 0.750000 La\n0.321733 0.321733 0.321733 Bi\n0.000000 0.178267 0.500000 Bi\n0.178267 0.500000 -0.000000 Bi\n0.500000 0.000000 0.178267 Bi\n0.821733 0.821733 0.821732 Bi\n0.000000 0.678267 0.500000 Bi\n0.500000 0.000000 0.678267 Bi\n0.678267 0.500000 -0.000001 Bi\n0.375000 0.250000 0.625000 Au\n0.125000 0.750000 0.875000 Au\n0.250000 0.625000 0.375000 Au\n0.750000 0.875000 0.124999 Au\n0.625000 0.375000 0.250000 Au\n0.875000 0.125000 0.750000 Au\n",
"nsites": 20,
"nelements": 3,
"elements": [
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"Bi",
"Au"
],
"chemical_system": "Au-Bi-La",
"density": 10.801571057772355,
"density_atomic": 0.03528464905365785,
"volume": 566.8187309893808,
"volume_molar": 17.067310917113126,
"formula_full": "La6 Bi8 Au6",
"formula_reduced": "La3Bi4Au3",
"formula_anonymous": "A3B3C4",
"energy_above_hull": 1.1746344910000002,
"spacegroup": 220
}
]
}