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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:01.339000Z",
"spacegroup": 48
},
{
"id": "mp-1517069",
"created_at": "2022-09-04T14:40:24.287886Z",
"structure_string": "Ba1 Tb1 Nd1 Fe1 O6\n1.0\n0.000000 -4.141003 -4.141003\n4.141003 0.000000 -4.141003\n4.141003 -4.141003 0.000000\nBa Tb Nd Fe O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Tb\n0.250000 0.250000 0.250000 Nd\n0.000000 0.000000 0.000000 Fe\n0.764707 0.235293 0.235293 O\n0.235293 0.764707 0.764707 O\n0.764707 0.235293 0.764707 O\n0.235293 0.764707 0.235293 O\n0.764707 0.764707 0.235293 O\n0.235293 0.235293 0.764707 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Tb",
"Nd",
"Fe",
"O"
],
"chemical_system": "Ba-Fe-Nd-O-Tb",
"density": 6.925807420664301,
"density_atomic": 0.0704130844344722,
"volume": 142.01905910408166,
"volume_molar": 8.552587645275395,
"formula_full": "Ba1 Tb1 Nd1 Fe1 O6",
"formula_reduced": "BaTbNdFeO6",
"formula_anonymous": "ABCDE6",
"energy": -77.62501456,
"energy_per_atom": -7.762501456,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -71.24701456,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0000003,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:50.185000Z",
"spacegroup": 216
}
]
}