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"id": "mp-1043894",
"created_at": "2022-09-04T14:39:16.946020Z",
"structure_string": "Ca2 La2 Fe2 Co2 O12\n1.0\n5.459180 0.000000 0.000000\n0.000000 5.478933 0.000000\n0.000000 5.452425 7.785189\nCa La Fe Co O\n2 2 2 2 12\ndirect\n0.713835 0.741344 0.749696 Ca\n0.286165 0.741344 0.249696 Ca\n0.223763 0.254329 0.750702 La\n0.776237 0.254329 0.250702 La\n0.749952 0.000060 0.999666 Fe\n0.250048 0.000060 0.499666 Fe\n0.750744 0.499860 0.500271 Co\n0.249256 0.499860 0.000271 Co\n0.238964 0.171036 0.251450 O\n0.029285 0.742822 0.041970 O\n0.024043 0.332588 0.459647 O\n0.975957 0.332588 0.959647 O\n0.970715 0.742822 0.541970 O\n0.761036 0.171036 0.751450 O\n0.735126 0.820830 0.248143 O\n0.525750 0.259894 0.461562 O\n0.519140 0.677240 0.036890 O\n0.480860 0.677240 0.536890 O\n0.474250 0.259894 0.961562 O\n0.264874 0.820830 0.748143 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Ca",
"La",
"Fe",
"Co",
"O"
],
"chemical_system": "Ca-Co-Fe-La-O",
"density": 5.55880756122094,
"density_atomic": 0.08588897731466667,
"volume": 232.85875120770285,
"volume_molar": 7.011540884853033,
"formula_full": "Ca2 La2 Fe2 Co2 O12",
"formula_reduced": "CaLaFeCoO6",
"formula_anonymous": "ABCDE6",
"energy": -152.59142581,
"energy_per_atom": -7.6295712905,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -136.55942581,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 15.9985708,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:26.008000Z",
"spacegroup": 7
}
]
}