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"formula_anonymous": "ABCDE6",
"energy": -73.43409734,
"energy_per_atom": -7.343409734,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -67.05609734,
"band_gap": 0.2710000000000003,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:23.546000Z",
"spacegroup": 216
},
{
"id": "mp-1518617",
"created_at": "2022-09-04T14:48:07.802164Z",
"structure_string": "Na1 Ce1 Hf1 Zr1 O6\n1.0\n0.000000 -4.131460 -4.131460\n4.131460 0.000000 -4.131460\n4.131460 -4.131460 0.000000\nNa Ce Hf Zr O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Ce\n-0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 0.500000 Zr\n0.751774 0.248226 0.248226 O\n0.248226 0.751774 0.751774 O\n0.751774 0.248226 0.751774 O\n0.248226 0.751774 0.248226 O\n0.751774 0.751774 0.248226 O\n0.248226 0.248226 0.751774 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Na",
"Ce",
"Hf",
"Zr",
"O"
],
"chemical_system": "Ce-Hf-Na-O-Zr",
"density": 6.226058121038972,
"density_atomic": 0.07090214062259963,
"volume": 141.03946527127223,
"volume_molar": 8.49359512578733,
"formula_full": "Na1 Ce1 Hf1 Zr1 O6",
"formula_reduced": "NaCeHfZrO6",
"formula_anonymous": "ABCDE6",
"energy": -89.66945961,
"energy_per_atom": -8.966945961,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -85.54745961,
"band_gap": 0.1458000000000003,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9999996,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:26.063000Z",
"spacegroup": 216
}
]
}