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"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -66.31400193,
"band_gap": 2.0748999999999995,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
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"updated_at": "2021-11-28T01:36:21.134000Z",
"spacegroup": 216
},
{
"id": "mp-1520770",
"created_at": "2022-09-04T14:42:28.967136Z",
"structure_string": "Ba1 Ca1 Tb1 Nb1 O6\n1.0\n-0.000000 -4.245648 -4.245648\n4.245648 -0.000000 -4.245648\n4.245648 -4.245648 0.000000\nBa Ca Tb Nb 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\n-0.000000 -0.000000 -0.000000 Nb\n0.763100 0.236900 0.236900 O\n0.236900 0.763100 0.763100 O\n0.763100 0.236900 0.763100 O\n0.236900 0.763100 0.236900 O\n0.763100 0.763100 0.236900 O\n0.236900 0.236900 0.763100 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Ca",
"Tb",
"Nb",
"O"
],
"chemical_system": "Ba-Ca-Nb-O-Tb",
"density": 5.6982206207572705,
"density_atomic": 0.06533381980606127,
"volume": 153.0600848026991,
"volume_molar": 9.217493754193908,
"formula_full": "Ba1 Ca1 Tb1 Nb1 O6",
"formula_reduced": "BaCaTbNbO6",
"formula_anonymous": "ABCDE6",
"energy": -81.78844287000001,
"energy_per_atom": -8.178844287,
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"energy_uncorrected": -77.66644287,
"band_gap": 2.853,
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"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:49.232000Z",
"spacegroup": 216
}
]
}