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"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -80.85211181,
"band_gap": 3.3164,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 8.69e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:14.381000Z",
"spacegroup": 225
},
{
"id": "mp-6122",
"created_at": "2022-09-04T14:40:19.962212Z",
"structure_string": "Ba2 Nd1 Sb1 O6\n1.0\n5.287646 -3.071100 0.000000\n5.287646 3.071100 0.000000\n3.503930 0.000000 5.011320\nBa Nd Sb O\n2 1 1 6\ndirect\n0.749060 0.749060 0.749060 Ba\n0.250940 0.250940 0.250940 Ba\n0.000000 0.000000 0.000000 Nd\n0.500000 0.500000 0.500000 Sb\n0.270118 0.692684 0.771015 O\n0.771015 0.270118 0.692684 O\n0.692684 0.771015 0.270118 O\n0.729882 0.307316 0.228985 O\n0.307316 0.228985 0.729882 O\n0.228985 0.729882 0.307316 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Nd",
"Sb",
"O"
],
"chemical_system": "Ba-Nd-O-Sb",
"density": 6.495506423760498,
"density_atomic": 0.06144146162786456,
"volume": 162.7565447672368,
"volume_molar": 9.801428221995415,
"formula_full": "Ba2 Nd1 Sb1 O6",
"formula_reduced": "Ba2NdSbO6",
"formula_anonymous": "ABC2D6",
"energy": -72.55721778,
"energy_per_atom": -7.255721778,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -68.43521778,
"band_gap": 3.7321,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 4.27e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:55.633000Z",
"spacegroup": 148
}
]
}