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"structure_string": "Lu4 Cd2 S8\n1.0\n6.777088 -0.000000 3.912753\n2.259030 6.389500 3.912753\n0.000000 0.000000 7.825507\nLu Cd S\n4 2 8\ndirect\n0.500000 0.500000 -0.000000 Lu\n0.500000 0.500000 0.500000 Lu\n0.000000 0.500000 0.500000 Lu\n0.500000 -0.000000 0.500000 Lu\n0.875000 0.875000 0.874999 Cd\n0.125000 0.125000 0.125000 Cd\n0.741452 0.741452 0.741452 S\n0.258548 0.258548 0.724355 S\n0.258548 0.724355 0.258548 S\n0.724356 0.258548 0.258547 S\n0.741452 0.275645 0.741452 S\n0.275645 0.741452 0.741452 S\n0.258548 0.258548 0.258548 S\n0.741452 0.741452 0.275644 S\n",
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"created_at": "2022-09-04T14:38:34.363047Z",
"updated_at": "2022-09-04T14:38:34.363071Z",
"structure_string": "Ca4 Te4 O16\n1.0\n5.064668 -0.000000 0.000000\n0.000000 5.234770 0.000000\n0.000000 0.000000 12.785739\nCa Te O\n4 4 16\ndirect\n0.750000 0.000000 0.669078 Ca\n0.250000 0.500000 0.830922 Ca\n0.250000 0.000000 0.330922 Ca\n0.750000 0.500000 0.169078 Ca\n0.750000 0.500000 0.426866 Te\n0.250000 0.000000 0.073134 Te\n0.250000 0.500000 0.573134 Te\n0.750000 0.000000 0.926866 Te\n0.928313 0.794153 0.044065 O\n0.428313 0.705847 0.455935 O\n0.928313 0.705847 0.544065 O\n0.428313 0.794153 0.955935 O\n0.071687 0.205847 0.955935 O\n0.571687 0.294153 0.544065 O\n0.614885 0.278173 0.325352 O\n0.385116 0.721827 0.674649 O\n0.385116 0.778173 0.174649 O\n0.885116 0.721827 0.325352 O\n0.571687 0.205847 0.044065 O\n0.885116 0.778173 0.825352 O\n0.614885 0.221827 0.825352 O\n0.114885 0.278173 0.674649 O\n0.114885 0.221827 0.174649 O\n0.071687 0.294153 0.455935 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Ca",
"Te",
"O"
],
"chemical_system": "Ca-O-Te",
"density": 4.539572578098664,
"density_atomic": 0.07080058080780278,
"volume": 338.9802700227992,
"volume_molar": 8.505778753917104,
"formula_full": "Ca4 Te4 O16",
"formula_reduced": "CaTeO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.5476153644444448,
"spacegroup": 60
}
]
}