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"formula_reduced": "BaCaDyVO6",
"formula_anonymous": "ABCDE6",
"energy": -78.31878581000001,
"energy_per_atom": -7.831878581000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -72.49678581,
"band_gap": 1.6048,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:35.474000Z",
"spacegroup": 216
},
{
"id": "mp-1517753",
"created_at": "2022-09-04T14:41:58.937933Z",
"structure_string": "Ba1 Sm1 Eu1 Mn1 O6\n1.0\n0.000000 -4.171212 -4.171212\n4.171212 0.000000 -4.171212\n4.171212 -4.171212 0.000000\nBa Sm Eu Mn O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Sm\n0.250000 0.250000 0.250000 Eu\n0.000000 0.000000 0.000000 Mn\n0.770074 0.229926 0.229926 O\n0.229926 0.770074 0.770074 O\n0.770074 0.229926 0.770074 O\n0.229926 0.770074 0.229926 O\n0.770074 0.770074 0.229926 O\n0.229926 0.229926 0.770074 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Sm",
"Eu",
"Mn",
"O"
],
"chemical_system": "Ba-Eu-Mn-O-Sm",
"density": 6.756395308167033,
"density_atomic": 0.06889428775212424,
"volume": 145.14991483733957,
"volume_molar": 8.741132184524714,
"formula_full": "Ba1 Sm1 Eu1 Mn1 O6",
"formula_reduced": "BaSmEuMnO6",
"formula_anonymous": "ABCDE6",
"energy": -83.90633007000002,
"energy_per_atom": -8.390633007000002,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -78.11633007,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 9.0000003,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:34.441000Z",
"spacegroup": 216
}
]
}