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"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:50.965000Z",
"spacegroup": 216
},
{
"id": "mp-1518383",
"created_at": "2022-09-04T14:41:49.875070Z",
"structure_string": "Ba1 Nd1 Eu1 Nb1 O6\n1.0\n-0.000000 -4.330318 -4.330318\n4.330318 0.000000 -4.330318\n4.330318 -4.330318 -0.000000\nBa Nd Eu Nb O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Nd\n0.250000 0.250000 0.250000 Eu\n0.000000 -0.000000 0.000000 Nb\n0.767348 0.232652 0.232652 O\n0.232652 0.767348 0.767348 O\n0.767348 0.232652 0.767348 O\n0.232652 0.767348 0.232652 O\n0.767348 0.767348 0.232652 O\n0.232652 0.232652 0.767348 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Nd",
"Eu",
"Nb",
"O"
],
"chemical_system": "Ba-Eu-Nb-Nd-O",
"density": 6.36435330479693,
"density_atomic": 0.061575880906305405,
"volume": 162.40124952846585,
"volume_molar": 9.78003184260305,
"formula_full": "Ba1 Nd1 Eu1 Nb1 O6",
"formula_reduced": "BaNdEuNbO6",
"formula_anonymous": "ABCDE6",
"energy": -89.60487463999999,
"energy_per_atom": -8.960487464,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -85.48287464,
"band_gap": 0.5202,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.9999999,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:27.327000Z",
"spacegroup": 216
}
]
}