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"volume_molar": 6.229503263112587,
"formula_full": "Co8 O8 F8",
"formula_reduced": "CoOF",
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"energy_uncorrected": -127.80195172,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:36:48.810000Z",
"spacegroup": 10
},
{
"id": "mp-778833",
"created_at": "2022-09-04T14:44:24.917164Z",
"structure_string": "Co6 O6 F6\n1.0\n4.481577 0.000000 0.000000\n0.000000 4.508992 0.000000\n0.000000 0.000000 8.998599\nCo O F\n6 6 6\ndirect\n0.774886 0.025214 0.666347 Co\n0.774886 0.025214 0.333653 Co\n0.729272 0.965879 0.000000 Co\n0.270728 0.465879 0.500000 Co\n0.225114 0.525214 0.833653 Co\n0.225114 0.525214 0.166347 Co\n0.926087 0.808591 0.836243 O\n0.926087 0.808591 0.163757 O\n0.424388 0.691862 0.000000 O\n0.073913 0.308591 0.663757 O\n0.073913 0.308591 0.336243 O\n0.575612 0.191862 0.500000 O\n0.980677 0.780131 0.500000 F\n0.466610 0.696952 0.340901 F\n0.466610 0.696952 0.659099 F\n0.019323 0.280131 0.000000 F\n0.533390 0.196952 0.840901 F\n0.533390 0.196952 0.159099 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
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"O",
"F"
],
"chemical_system": "Co-F-O",
"density": 5.146643175814787,
"density_atomic": 0.09898907788981913,
"volume": 181.83824300328462,
"volume_molar": 6.083641638427028,
"formula_full": "Co6 O6 F6",
"formula_reduced": "CoOF",
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:36.620000Z",
"spacegroup": 31
}
]
}