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"Zr",
"Ti",
"O"
],
"chemical_system": "Ca-O-Sr-Ti-Zr",
"density": 4.542855596041015,
"density_atomic": 0.07541018977380821,
"volume": 132.60807365682086,
"volume_molar": 7.985844854738232,
"formula_full": "Sr1 Ca1 Zr1 Ti1 O6",
"formula_reduced": "SrCaZrTiO6",
"formula_anonymous": "ABCDE6",
"energy": -85.09468204,
"energy_per_atom": -8.509468204,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -80.97268204,
"band_gap": 2.3639999999999994,
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"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:39.862000Z",
"spacegroup": 216
},
{
"id": "mp-1520158",
"created_at": "2022-09-04T14:47:10.685559Z",
"structure_string": "Eu1 Mn1 Nb1 Bi1 O6\n1.0\n0.000000 -4.073015 -4.073015\n4.073015 0.000000 -4.073015\n4.073015 -4.073015 0.000000\nEu Mn Nb Bi O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Eu\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Nb\n0.750000 0.750000 0.750000 Bi\n0.744872 0.255128 0.255128 O\n0.255128 0.744872 0.744872 O\n0.744872 0.255128 0.744872 O\n0.255128 0.744872 0.255128 O\n0.744872 0.744872 0.255128 O\n0.255128 0.255128 0.744872 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Eu",
"Mn",
"Nb",
"Bi",
"O"
],
"chemical_system": "Bi-Eu-Mn-Nb-O",
"density": 7.431427513938986,
"density_atomic": 0.07399833974473029,
"volume": 135.13816707910854,
"volume_molar": 8.138210641987897,
"formula_full": "Eu1 Mn1 Nb1 Bi1 O6",
"formula_reduced": "EuMnNbBiO6",
"formula_anonymous": "ABCDE6",
"energy": -87.21894775000001,
"energy_per_atom": -8.721894775,
"energy_above_hull": null,
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"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -81.42894775,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 1.9665858,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:55.313000Z",
"spacegroup": 216
}
]
}