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"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -79.65032731,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.0134971,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:16.409000Z",
"spacegroup": 216
},
{
"id": "mp-1518109",
"created_at": "2022-09-04T14:43:21.565881Z",
"structure_string": "Ba4 Eu4 Nb4 Sb4 O24\n1.0\n8.606510 0.000000 0.000000\n0.000000 8.689427 0.000000\n0.000000 0.000000 8.588393\nBa Eu Nb Sb O\n4 4 4 4 24\ndirect\n-0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Ba\n0.500000 0.000000 0.500000 Ba\n0.500000 0.500000 -0.000000 Ba\n-0.000000 0.500000 0.500000 Eu\n0.500000 0.000000 -0.000000 Eu\n-0.000000 0.500000 0.000000 Eu\n-0.000000 0.000000 0.500000 Eu\n0.750093 0.751621 0.749680 Nb\n0.249907 0.248379 0.749680 Nb\n0.249907 0.751621 0.250320 Nb\n0.750093 0.248379 0.250320 Nb\n0.247826 0.249820 0.250083 Sb\n0.752174 0.750180 0.250083 Sb\n0.752174 0.249820 0.749917 Sb\n0.247826 0.750180 0.749917 Sb\n0.985100 0.218291 0.281313 O\n0.014900 0.781709 0.281313 O\n0.014900 0.218291 0.718687 O\n0.985100 0.781709 0.718687 O\n0.278916 0.982945 0.217070 O\n0.278916 0.017055 0.782930 O\n0.721084 0.017055 0.217070 O\n0.721084 0.982945 0.782930 O\n0.216875 0.279777 0.982950 O\n0.783125 0.279777 0.017050 O\n0.216875 0.720223 0.017050 O\n0.783125 0.720223 0.982950 O\n0.518801 0.276528 0.225083 O\n0.481199 0.723472 0.225083 O\n0.481199 0.276528 0.774917 O\n0.518801 0.723472 0.774917 O\n0.217904 0.515261 0.283110 O\n0.217904 0.484739 0.716890 O\n0.782096 0.484739 0.283110 O\n0.782096 0.515261 0.716890 O\n0.275439 0.224981 0.517239 O\n0.724561 0.224981 0.482761 O\n0.275439 0.775019 0.482761 O\n0.724561 0.775019 0.517239 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"Ba",
"Eu",
"Nb",
"Sb",
"O"
],
"chemical_system": "Ba-Eu-Nb-O-Sb",
"density": 6.204356677634766,
"density_atomic": 0.06227731284712388,
"volume": 642.2884702522501,
"volume_molar": 9.669878940960306,
"formula_full": "Ba4 Eu4 Nb4 Sb4 O24",
"formula_reduced": "BaEuNbSbO6",
"formula_anonymous": "ABCDE6",
"energy": -335.11713286,
"energy_per_atom": -8.3779283215,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -318.62913286,
"band_gap": 0.1988000000000003,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 14.0004428,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:15.271000Z",
"spacegroup": 16
}
]
}