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"id": "mp-1518866",
"created_at": "2022-09-04T14:41:51.695931Z",
"structure_string": "Ba1 Ca1 Tb1 Bi1 O6\n1.0\n0.000000 -4.323250 -4.323250\n4.323250 -0.000000 -4.323250\n4.323250 -4.323250 -0.000000\nBa Ca Tb Bi O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Ca\n0.500000 0.500000 0.500000 Tb\n0.000000 -0.000000 0.000000 Bi\n0.756240 0.243760 0.243760 O\n0.243760 0.756240 0.756240 O\n0.756240 0.243760 0.756240 O\n0.243760 0.756240 0.243760 O\n0.756240 0.756240 0.243760 O\n0.243760 0.243760 0.756240 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Ca",
"Tb",
"Bi",
"O"
],
"chemical_system": "Ba-Bi-Ca-O-Tb",
"density": 6.589525353513797,
"density_atomic": 0.06187838266603212,
"volume": 161.60732664865623,
"volume_molar": 9.732220689255069,
"formula_full": "Ba1 Ca1 Tb1 Bi1 O6",
"formula_reduced": "BaCaTbBiO6",
"formula_anonymous": "ABCDE6",
"energy": -69.15087116,
"energy_per_atom": -6.915087116,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -65.02887116,
"band_gap": 1.9458,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:31.374000Z",
"spacegroup": 216
}
]
}