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"created_at": "2022-09-04T14:37:31.839364Z",
"updated_at": "2022-09-04T14:37:31.839376Z",
"structure_string": "Al4 Cr4 O14\n1.0\n5.750316 -0.000000 3.319947\n1.916772 5.421450 3.319947\n-0.000000 -0.000000 6.639893\nAl Cr O\n4 4 14\ndirect\n0.500000 0.000000 0.500000 Al\n-0.000000 0.500000 0.500000 Al\n0.500000 0.500000 0.000000 Al\n0.500000 0.500000 0.500000 Al\n-0.000000 0.500000 0.000000 Cr\n0.500000 0.000000 0.000000 Cr\n0.000000 0.000000 0.500000 Cr\n0.000000 0.000000 0.000000 Cr\n0.655971 0.094029 0.094030 O\n0.094029 0.094029 0.655970 O\n0.655971 0.655971 0.094030 O\n0.905971 0.344029 0.344030 O\n0.344029 0.905970 0.344030 O\n0.344030 0.344029 0.905970 O\n0.344029 0.905970 0.905971 O\n0.905971 0.344029 0.905971 O\n0.094029 0.655971 0.655971 O\n0.655971 0.094029 0.655970 O\n0.375000 0.375000 0.375000 O\n0.625000 0.625000 0.625000 O\n0.905971 0.905970 0.344030 O\n0.094029 0.655971 0.094030 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Al",
"Cr",
"O"
],
"chemical_system": "Al-Cr-O",
"density": 4.3310770398675285,
"density_atomic": 0.10628070627328426,
"volume": 206.9990007728254,
"volume_molar": 5.666259635605925,
"formula_full": "Al4 Cr4 O14",
"formula_reduced": "Al2Cr2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 3.0794495363636365,
"spacegroup": 227
}
]
}