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"created_at": "2022-09-04T14:37:08.157257Z",
"updated_at": "2022-09-04T14:37:08.157285Z",
"structure_string": "Cd4 Re4 O14\n1.0\n6.342636 -0.000000 3.661923\n2.114212 5.979894 3.661923\n0.000000 -0.000000 7.323846\nCd Re O\n4 4 14\ndirect\n0.500000 0.000000 0.500000 Cd\n-0.000000 0.500000 0.500000 Cd\n0.500000 0.500000 -0.000000 Cd\n0.500000 0.500000 0.500000 Cd\n-0.000000 0.500000 0.000000 Re\n0.000000 0.000000 0.500000 Re\n0.000000 0.000000 0.000000 Re\n0.500000 0.000000 -0.000000 Re\n0.065124 0.684876 0.065124 O\n0.684877 0.065124 0.684876 O\n0.684877 0.065124 0.065123 O\n0.625000 0.625000 0.625000 O\n0.934877 0.315124 0.315123 O\n0.315124 0.934876 0.315124 O\n0.315124 0.315124 0.934877 O\n0.934877 0.934876 0.315123 O\n0.934877 0.315124 0.934876 O\n0.065124 0.684876 0.684877 O\n0.315124 0.934876 0.934877 O\n0.375000 0.375000 0.375000 O\n0.684877 0.684876 0.065123 O\n0.065124 0.065124 0.684877 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Cd",
"Re",
"O"
],
"chemical_system": "Cd-O-Re",
"density": 8.479393998295462,
"density_atomic": 0.07919909211398764,
"volume": 277.7809620385093,
"volume_molar": 7.603800244745997,
"formula_full": "Cd4 Re4 O14",
"formula_reduced": "Cd2Re2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 2.830293636363636,
"spacegroup": 227
}
]
}