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"energy_uncorrected": -72.00095891,
"band_gap": 0.6482999999999999,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 7.0000002,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:56.229000Z",
"spacegroup": 216
},
{
"id": "mp-1519326",
"created_at": "2022-09-04T14:45:16.455456Z",
"structure_string": "Sr1 Tb1 Pr1 Mn1 O6\n1.0\n0.000000 -4.080576 -4.080576\n4.080576 0.000000 -4.080576\n4.080576 -4.080576 0.000000\nSr Tb Pr Mn O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.500000 0.500000 0.500000 Tb\n0.750000 0.750000 0.750000 Pr\n0.000000 0.000000 0.000000 Mn\n0.766980 0.233020 0.233020 O\n0.233020 0.766980 0.766980 O\n0.766980 0.233020 0.766980 O\n0.233020 0.766980 0.233020 O\n0.766980 0.766980 0.233020 O\n0.233020 0.233020 0.766980 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Sr",
"Tb",
"Pr",
"Mn",
"O"
],
"chemical_system": "Mn-O-Pr-Sr-Tb",
"density": 6.578844369690857,
"density_atomic": 0.07358776140499192,
"volume": 135.89216208065866,
"volume_molar": 8.18361728230461,
"formula_full": "Sr1 Tb1 Pr1 Mn1 O6",
"formula_reduced": "SrTbPrMnO6",
"formula_anonymous": "ABCDE6",
"energy": -80.25389581,
"energy_per_atom": -8.025389581,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -74.46389581,
"band_gap": 2.2916000000000003,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.9999999,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:55.963000Z",
"spacegroup": 216
}
]
}