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"formula_anonymous": "ABCDE6",
"energy": -87.68028067,
"energy_per_atom": -8.768028067,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -79.12028067,
"band_gap": 0.3175999999999996,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:12.598000Z",
"spacegroup": 216
},
{
"id": "mp-1521463",
"created_at": "2022-09-04T14:40:36.930354Z",
"structure_string": "K1 Zr1 Sn1 Bi1 O6\n1.0\n0.000000 -4.139267 -4.139267\n4.139267 0.000000 -4.139267\n4.139267 -4.139267 0.000000\nK Zr Sn Bi O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Sn\n0.750000 0.750000 0.750000 Bi\n0.752147 0.247853 0.247853 O\n0.247853 0.752147 0.752147 O\n0.752147 0.247853 0.752147 O\n0.247853 0.752147 0.247853 O\n0.752147 0.752147 0.247853 O\n0.247853 0.247853 0.752147 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"K",
"Zr",
"Sn",
"Bi",
"O"
],
"chemical_system": "Bi-K-O-Sn-Zr",
"density": 6.485831727218443,
"density_atomic": 0.07050171490049749,
"volume": 141.84052138467112,
"volume_molar": 8.541835852502796,
"formula_full": "K1 Zr1 Sn1 Bi1 O6",
"formula_reduced": "KZrSnBiO6",
"formula_anonymous": "ABCDE6",
"energy": -70.31055521,
"energy_per_atom": -7.031055521000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -66.18855521,
"band_gap": 0.9464,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:07.164000Z",
"spacegroup": 216
}
]
}