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{
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{
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{
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"id": "mp-1522602",
"created_at": "2022-09-04T14:47:18.555735Z",
"structure_string": "Ba1 Na1 Tb1 Bi1 O6\n1.0\n-0.000000 -4.354810 -4.354810\n4.354810 -0.000000 -4.354810\n4.354810 -4.354810 0.000000\nBa Na Tb Bi O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.500000 Tb\n0.000000 0.000000 -0.000000 Bi\n0.756756 0.243244 0.243244 O\n0.243244 0.756756 0.756756 O\n0.756756 0.243244 0.756756 O\n0.243244 0.756756 0.243244 O\n0.756756 0.756756 0.243244 O\n0.243244 0.243244 0.756756 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Na",
"Tb",
"Bi",
"O"
],
"chemical_system": "Ba-Bi-Na-O-Tb",
"density": 6.2755008779070796,
"density_atomic": 0.06054278150189824,
"volume": 165.17245742477925,
"volume_molar": 9.946917882871277,
"formula_full": "Ba1 Na1 Tb1 Bi1 O6",
"formula_reduced": "BaNaTbBiO6",
"formula_anonymous": "ABCDE6",
"energy": -64.90968473000001,
"energy_per_atom": -6.490968473000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -60.78768473,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:07.385000Z",
"spacegroup": 216
}
]
}