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"updated_at": "2021-11-28T01:35:58.230000Z",
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{
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"updated_at": "2021-11-28T01:36:20.514000Z",
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{
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{
"id": "mp-1199040",
"created_at": "2022-09-04T14:46:10.346693Z",
"structure_string": "K12 Bi8 N36 O108\n1.0\n13.705758 0.000000 0.000000\n-0.000000 13.705758 -0.000000\n-0.000000 0.000000 13.705758\nK Bi N O\n12 8 36 108\ndirect\n0.188116 0.061884 0.625000 K\n0.811884 0.561884 0.875000 K\n0.561884 0.875000 0.811884 K\n0.438116 0.375000 0.688116 K\n0.375000 0.688116 0.438116 K\n0.625000 0.188116 0.061884 K\n0.688116 0.438116 0.375000 K\n0.311884 0.938116 0.125000 K\n0.061884 0.625000 0.188116 K\n0.938116 0.125000 0.311884 K\n0.875000 0.811884 0.561884 K\n0.125000 0.311884 0.938116 K\n0.545665 0.045665 0.454335 Bi\n0.454335 0.545665 0.045665 Bi\n0.045665 0.454335 0.545665 Bi\n0.954335 0.954335 0.954335 Bi\n0.204335 0.704335 0.795665 Bi\n0.704335 0.795665 0.204335 Bi\n0.795665 0.204335 0.704335 Bi\n0.295665 0.295665 0.295665 Bi\n0.375000 0.516065 0.266065 N\n0.625000 0.016065 0.233935 N\n0.016065 0.233935 0.625000 N\n0.983935 0.733935 0.875000 N\n0.733935 0.875000 0.983935 N\n0.266065 0.375000 0.516065 N\n0.875000 0.983935 0.733935 N\n0.125000 0.483935 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"nsites": 164,
"nelements": 4,
"elements": [
"K",
"Bi",
"N",
"O"
],
"chemical_system": "Bi-K-N-O",
"density": 2.8205849194172368,
"density_atomic": 0.0636993015146886,
"volume": 2574.596519903484,
"volume_molar": 9.454013806746904,
"formula_full": "K12 Bi8 N36 O108",
"formula_reduced": "K3Bi2(NO3)9",
"formula_anonymous": "A2B3C9D27",
"energy": -1069.39037923,
"energy_per_atom": -6.520673044085366,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -995.19437923,
"band_gap": 3.6628,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:19.367000Z",
"spacegroup": 212
}
]
}