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"id": "mp-1518395",
"created_at": "2022-09-04T14:44:25.972286Z",
"structure_string": "Ba2 Eu2 Nb2 Bi2 O12\n1.0\n6.011719 -0.011751 -0.020886\n-0.014909 6.076856 -0.029420\n-0.033394 -0.044881 8.545104\nBa Eu Nb Bi O\n2 2 2 2 12\ndirect\n0.506284 0.532963 0.250352 Ba\n0.493716 0.467037 0.749648 Ba\n0.990245 0.042464 0.252545 Eu\n0.009755 0.957536 0.747455 Eu\n0.500000 0.000000 0.000000 Nb\n0.000000 0.500000 0.500000 Nb\n0.000000 0.500000 0.000000 Bi\n0.500000 0.000000 0.500000 Bi\n0.229000 0.187712 0.948149 O\n0.267249 0.694683 0.536912 O\n0.771000 0.812288 0.051851 O\n0.732751 0.305317 0.463088 O\n0.307951 0.733310 0.956206 O\n0.181157 0.223036 0.548495 O\n0.692049 0.266690 0.043794 O\n0.818843 0.776964 0.451505 O\n0.400262 0.990993 0.228550 O\n0.071418 0.460376 0.270366 O\n0.599738 0.009007 0.771450 O\n0.928582 0.539624 0.729634 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Ba",
"Eu",
"Nb",
"Bi",
"O"
],
"chemical_system": "Ba-Bi-Eu-Nb-O",
"density": 7.310886029890638,
"density_atomic": 0.0640699054896589,
"volume": 312.1590370260195,
"volume_molar": 9.399328302383706,
"formula_full": "Ba2 Eu2 Nb2 Bi2 O12",
"formula_reduced": "BaEuNbBiO6",
"formula_anonymous": "ABCDE6",
"energy": -168.17073107,
"energy_per_atom": -8.4085365535,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -159.92673107,
"band_gap": 0.0891999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 13.9999998,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:29.200000Z",
"spacegroup": 2
}
]
}