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"created_at": "2022-09-04T14:37:27.428921Z",
"updated_at": "2022-09-04T14:37:27.428942Z",
"structure_string": "Ti4 Al4 O14\n1.0\n5.864161 -0.000000 3.385676\n1.954721 5.528784 3.385676\n-0.000000 -0.000000 6.771349\nTi Al O\n4 4 14\ndirect\n0.000000 0.500000 0.000000 Ti\n0.500000 0.000000 0.000000 Ti\n0.000000 0.000000 0.500000 Ti\n0.000000 0.000000 0.000000 Ti\n0.500000 0.000000 0.500000 Al\n0.000000 0.500000 0.500001 Al\n0.500000 0.500000 0.000001 Al\n0.500000 0.500000 0.500001 Al\n0.651837 0.098163 0.098163 O\n0.098163 0.098163 0.651838 O\n0.651837 0.651837 0.098164 O\n0.901837 0.348162 0.348164 O\n0.348163 0.901837 0.348164 O\n0.348163 0.348162 0.901838 O\n0.348163 0.901837 0.901839 O\n0.901837 0.348162 0.901838 O\n0.098163 0.651837 0.651838 O\n0.651837 0.098163 0.651838 O\n0.375000 0.375000 0.375001 O\n0.625000 0.625000 0.625001 O\n0.901837 0.901837 0.348164 O\n0.098163 0.651837 0.098163 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Ti",
"Al",
"O"
],
"chemical_system": "Al-O-Ti",
"density": 3.958770164948622,
"density_atomic": 0.10021021044378843,
"volume": 219.5385071298758,
"volume_molar": 6.009508146256253,
"formula_full": "Ti4 Al4 O14",
"formula_reduced": "Ti2Al2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 2.8184951606060604,
"spacegroup": 227
}
]
}