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"is_magnetic": true,
"total_magnetization": 12.0059998,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:04.252000Z",
"spacegroup": 2
},
{
"id": "mp-1518586",
"created_at": "2022-09-04T14:42:58.881712Z",
"structure_string": "Na1 Ca1 Zr1 Bi1 O6\n1.0\n0.000000 -4.171986 -4.171986\n4.171986 0.000000 -4.171986\n4.171986 -4.171986 0.000000\nNa Ca Zr Bi O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Ca\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Bi\n0.749215 0.250785 0.250785 O\n0.250785 0.749215 0.749215 O\n0.749215 0.250785 0.749215 O\n0.250785 0.749215 0.250785 O\n0.749215 0.749215 0.250785 O\n0.250785 0.250785 0.749215 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Na",
"Ca",
"Zr",
"Bi",
"O"
],
"chemical_system": "Bi-Ca-Na-O-Zr",
"density": 5.2511847663557765,
"density_atomic": 0.06885595040885738,
"volume": 145.2307308318503,
"volume_molar": 8.745999037470744,
"formula_full": "Na1 Ca1 Zr1 Bi1 O6",
"formula_reduced": "NaCaZrBiO6",
"formula_anonymous": "ABCDE6",
"energy": -70.17659866,
"energy_per_atom": -7.017659866,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -66.05459866,
"band_gap": 1.3637,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:58.141000Z",
"spacegroup": 216
}
]
}