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"structure_string": "Li4 Cr6 O12\n1.0\n5.036489 -0.027511 -0.000000\n2.481688 4.312993 0.000000\n-0.000000 -0.000000 9.942040\nLi Cr O\n4 6 12\ndirect\n0.500000 0.147030 0.750000 Li\n0.500000 0.352970 0.250000 Li\n0.500001 0.647029 0.750000 Li\n0.500001 0.852970 0.250000 Li\n0.000000 0.000000 0.000000 Cr\n0.000000 0.500000 0.500000 Cr\n0.323866 0.338068 0.000000 Cr\n0.323866 0.838067 0.500000 Cr\n0.676135 0.161932 0.500000 Cr\n0.676135 0.661932 0.000000 Cr\n0.660880 0.330247 0.893291 O\n0.660880 0.008873 0.106709 O\n0.339120 0.669752 0.106709 O\n0.339120 0.491127 0.606709 O\n0.339120 0.169753 0.393291 O\n0.000000 0.171684 0.601666 O\n0.339121 0.991127 0.893291 O\n0.000000 0.671684 0.898334 O\n0.000000 0.328315 0.101666 O\n0.660881 0.508872 0.393291 O\n0.000001 0.828315 0.398334 O\n0.660881 0.830247 0.606709 O\n",
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"created_at": "2022-09-04T14:38:03.396515Z",
"updated_at": "2022-09-04T14:38:03.396540Z",
"structure_string": "Ho4 Bi4 O14\n1.0\n0.000000 5.436461 5.436461\n5.436461 0.000000 5.436461\n5.436461 5.436461 0.000000\nHo Bi O\n4 4 14\ndirect\n0.500000 0.500000 -0.000000 Ho\n0.500000 0.000000 0.500000 Ho\n0.000000 0.500000 0.500000 Ho\n0.500000 0.500000 0.500000 Ho\n0.500000 0.000000 -0.000000 Bi\n0.000000 0.000000 0.000000 Bi\n0.000000 0.500000 -0.000000 Bi\n0.000000 0.000000 0.500000 Bi\n0.894014 0.355986 0.894014 O\n0.355986 0.355986 0.894014 O\n0.894014 0.894014 0.355986 O\n0.625000 0.625000 0.625000 O\n0.355986 0.894014 0.355986 O\n0.644014 0.644014 0.105986 O\n0.644014 0.105986 0.644014 O\n0.105986 0.105986 0.644014 O\n0.105986 0.644014 0.105986 O\n0.105986 0.644014 0.644014 O\n0.894014 0.355986 0.355986 O\n0.644014 0.105986 0.105986 O\n0.375000 0.375000 0.375000 O\n0.355986 0.894014 0.894014 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Ho",
"Bi",
"O"
],
"chemical_system": "Bi-Ho-O",
"density": 8.886002185951583,
"density_atomic": 0.06846109712054284,
"volume": 321.350386209317,
"volume_molar": 8.796442086513043,
"formula_full": "Ho4 Bi4 O14",
"formula_reduced": "Ho2Bi2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 2.1544403848484848,
"spacegroup": 227
}
]
}