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"structure_string": "Pr1 Eu1 Nb1 Fe1 O6\n1.0\n0.000000 -4.006856 -4.006856\n4.006856 -0.000000 -4.006856\n4.006856 -4.006856 0.000000\nPr Eu Nb Fe O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Pr\n0.250000 0.250000 0.250000 Eu\n0.500000 0.500000 0.500000 Nb\n0.000000 0.000000 0.000000 Fe\n0.750128 0.249872 0.249872 O\n0.249872 0.750128 0.750128 O\n0.750128 0.249872 0.750128 O\n0.249872 0.750128 0.249872 O\n0.750128 0.750128 0.249872 O\n0.249872 0.249872 0.750128 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Pr",
"Eu",
"Nb",
"Fe",
"O"
],
"chemical_system": "Eu-Fe-Nb-O-Pr",
"density": 6.938775770287807,
"density_atomic": 0.07772465441807236,
"volume": 128.65930475819295,
"volume_molar": 7.748044433375757,
"formula_full": "Pr1 Eu1 Nb1 Fe1 O6",
"formula_reduced": "PrEuNbFeO6",
"formula_anonymous": "ABCDE6",
"energy": -91.9201165,
"energy_per_atom": -9.192011650000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -85.5421165,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 11.0093092,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:59.332000Z",
"spacegroup": 216
},
{
"id": "mp-1520922",
"created_at": "2022-09-04T14:39:08.463943Z",
"structure_string": "Pr1 Eu1 Mn1 Nb1 O6\n1.0\n0.000000 -4.080311 -4.080311\n4.080311 -0.000000 -4.080311\n4.080311 -4.080311 0.000000\nPr Eu Mn Nb O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Pr\n0.750000 0.750000 0.750000 Eu\n-0.000000 -0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Nb\n0.744076 0.255924 0.255924 O\n0.255924 0.744076 0.744076 O\n0.744076 0.255924 0.744076 O\n0.255924 0.744076 0.255924 O\n0.744076 0.744076 0.255924 O\n0.255924 0.255924 0.744076 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
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"Eu",
"Mn",
"Nb",
"O"
],
"chemical_system": "Eu-Mn-Nb-O-Pr",
"density": 6.559654919349598,
"density_atomic": 0.07360210003503491,
"volume": 135.86568855019024,
"volume_molar": 8.18202300903566,
"formula_full": "Pr1 Eu1 Mn1 Nb1 O6",
"formula_reduced": "PrEuMnNbO6",
"formula_anonymous": "ABCDE6",
"energy": -93.85252599,
"energy_per_atom": -9.385252599000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -88.06252599000001,
"band_gap": 0.1095000000000006,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 12.0000129,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:38.562000Z",
"spacegroup": 216
}
]
}