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{
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{
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"density_atomic": 0.06346928775235702,
"volume": 315.1130366869017,
"volume_molar": 9.488275311197828,
"formula_full": "Ba2 Sr2 Ce2 Hf2 O12",
"formula_reduced": "BaSrCeHfO6",
"formula_anonymous": "ABCDE6",
"energy": -171.82199300000002,
"energy_per_atom": -8.59109965,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -163.577993,
"band_gap": 2.1941000000000006,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:25.174000Z",
"spacegroup": 2
},
{
"id": "mp-1518845",
"created_at": "2022-09-04T14:48:18.934873Z",
"structure_string": "K1 Sr1 Zr1 Bi1 O6\n1.0\n0.000000 -4.213853 -4.213853\n4.213853 0.000000 -4.213853\n4.213853 -4.213853 0.000000\nK Sr Zr Bi O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 Sr\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Bi\n0.748800 0.251200 0.251200 O\n0.251200 0.748800 0.748800 O\n0.748800 0.251200 0.748800 O\n0.251200 0.748800 0.251200 O\n0.748800 0.748800 0.251200 O\n0.251200 0.251200 0.748800 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"K",
"Sr",
"Zr",
"Bi",
"O"
],
"chemical_system": "Bi-K-O-Sr-Zr",
"density": 5.802504196782705,
"density_atomic": 0.06682390650024433,
"volume": 149.6470428582836,
"volume_molar": 9.011955564103367,
"formula_full": "K1 Sr1 Zr1 Bi1 O6",
"formula_reduced": "KSrZrBiO6",
"formula_anonymous": "ABCDE6",
"energy": -70.7059017,
"energy_per_atom": -7.07059017,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -66.5839017,
"band_gap": 1.0783999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:48.933000Z",
"spacegroup": 216
}
]
}