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"id": "mp-1518347",
"created_at": "2022-09-04T14:40:40.739824Z",
"structure_string": "Ba2 Nd2 Eu2 Sb2 O12\n1.0\n6.030972 -0.008734 -0.016603\n-0.012149 6.082447 -0.019606\n-0.027680 -0.031499 8.568669\nBa Nd Eu Sb O\n2 2 2 2 12\ndirect\n0.506482 0.526913 0.249697 Ba\n0.493518 0.473087 0.750303 Ba\n0.000000 0.500000 0.000000 Nd\n0.500000 0.000000 0.500000 Nd\n0.992258 0.037719 0.252038 Eu\n0.007742 0.962281 0.747962 Eu\n0.500000 0.000000 0.000000 Sb\n0.000000 0.500000 0.500000 Sb\n0.232940 0.194300 0.953894 O\n0.263237 0.700765 0.533537 O\n0.767060 0.805700 0.046106 O\n0.736763 0.299235 0.466463 O\n0.302107 0.736513 0.960519 O\n0.188931 0.228373 0.542578 O\n0.697893 0.263487 0.039481 O\n0.811069 0.771627 0.457422 O\n0.411088 0.993509 0.229829 O\n0.063529 0.466652 0.269116 O\n0.588912 0.006491 0.770171 O\n0.936471 0.533348 0.730884 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Ba",
"Nd",
"Eu",
"Sb",
"O"
],
"chemical_system": "Ba-Eu-Nd-O-Sb",
"density": 6.881519910471049,
"density_atomic": 0.06362990332396097,
"volume": 314.31762355780046,
"volume_molar": 9.46432486206883,
"formula_full": "Ba2 Nd2 Eu2 Sb2 O12",
"formula_reduced": "BaNdEuSbO6",
"formula_anonymous": "ABCDE6",
"energy": -161.24549249,
"energy_per_atom": -8.0622746245,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -153.00149249,
"band_gap": 0.1501999999999999,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 13.9999949,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:05.991000Z",
"spacegroup": 2
}
]
}