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{
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"id": "mp-1517244",
"created_at": "2022-09-04T14:43:01.299356Z",
"structure_string": "Na1 Ca1 La1 Fe1 O6\n1.0\n0.000000 -4.030857 -4.030857\n4.030857 -0.000000 -4.030857\n4.030857 -4.030857 0.000000\nNa Ca La Fe O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.000000 -0.000000 -0.000000 Ca\n0.750000 0.750000 0.750000 La\n0.500000 0.500000 0.500000 Fe\n0.728755 0.271245 0.271245 O\n0.271245 0.728755 0.728755 O\n0.728755 0.271245 0.728755 O\n0.271245 0.728755 0.271245 O\n0.728755 0.728755 0.271245 O\n0.271245 0.271245 0.728755 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Na",
"Ca",
"La",
"Fe",
"O"
],
"chemical_system": "Ca-Fe-La-Na-O",
"density": 4.485415982092479,
"density_atomic": 0.07634451326156912,
"volume": 130.98518246803567,
"volume_molar": 7.888112062967951,
"formula_full": "Na1 Ca1 La1 Fe1 O6",
"formula_reduced": "NaCaLaFeO6",
"formula_anonymous": "ABCDE6",
"energy": -68.22801968,
"energy_per_atom": -6.822801968,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -61.85001968,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0000007,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:04.613000Z",
"spacegroup": 216
}
]
}