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"structure_string": "Sr1 Mn1 Fe1 Bi1 O6\n1.0\n4.679921 -2.747807 0.000000\n4.679921 2.747807 0.000000\n3.066551 0.000000 4.477540\nSr Mn Fe Bi O\n1 1 1 1 6\ndirect\n0.249455 0.249455 0.249455 Sr\n0.999237 0.999237 0.999237 Mn\n0.499876 0.499876 0.499876 Fe\n0.751231 0.751231 0.751231 Bi\n0.801681 0.704822 0.245346 O\n0.245346 0.801681 0.704822 O\n0.704822 0.245346 0.801681 O\n0.754635 0.180453 0.313264 O\n0.313264 0.754635 0.180453 O\n0.180453 0.313264 0.754635 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Sr",
"Mn",
"Fe",
"Bi",
"O"
],
"chemical_system": "Bi-Fe-Mn-O-Sr",
"density": 7.258563870240954,
"density_atomic": 0.086837194201026,
"volume": 115.15802752505157,
"volume_molar": 6.934978513998149,
"formula_full": "Sr1 Mn1 Fe1 Bi1 O6",
"formula_reduced": "SrMnFeBiO6",
"formula_anonymous": "ABCDE6",
"energy": -73.48693431000001,
"energy_per_atom": -7.348693431000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -65.44093431,
"band_gap": 1.1880000000000006,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:57.924000Z",
"spacegroup": 146
},
{
"id": "mp-1520426",
"created_at": "2022-09-04T14:40:39.209567Z",
"structure_string": "K1 Ce1 Nd1 Mn1 O6\n1.0\n0.000000 -4.098865 -4.098865\n4.098865 0.000000 -4.098865\n4.098865 -4.098865 0.000000\nK Ce Nd Mn O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Ce\n0.750000 0.750000 0.750000 Nd\n0.500000 0.500000 0.500000 Mn\n0.733286 0.266714 0.266714 O\n0.266714 0.733286 0.733286 O\n0.733286 0.266714 0.733286 O\n0.266714 0.733286 0.266714 O\n0.733286 0.733286 0.266714 O\n0.266714 0.266714 0.733286 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"K",
"Ce",
"Nd",
"Mn",
"O"
],
"chemical_system": "Ce-K-Mn-Nd-O",
"density": 5.7195843021117545,
"density_atomic": 0.07260711160776653,
"volume": 137.72755558741073,
"volume_molar": 8.294147262781118,
"formula_full": "K1 Ce1 Nd1 Mn1 O6",
"formula_reduced": "KCeNdMnO6",
"formula_anonymous": "ABCDE6",
"energy": -78.4938527,
"energy_per_atom": -7.849385270000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -72.7038527,
"band_gap": 2.0177,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.0000002,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:05.266000Z",
"spacegroup": 216
}
]
}