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"formula_full": "Ba1 La1 Mg1 Nb1 O6",
"formula_reduced": "BaLaMgNbO6",
"formula_anonymous": "ABCDE6",
"energy": -81.40518192,
"energy_per_atom": -8.140518192,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -77.28318192,
"band_gap": 2.6557000000000004,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010748,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:09.615000Z",
"spacegroup": 216
},
{
"id": "mp-1521902",
"created_at": "2022-09-04T14:48:22.518158Z",
"structure_string": "K1 Eu1 Nb1 Bi1 O6\n1.0\n0.000000 -4.266860 -4.266860\n4.266860 0.000000 -4.266860\n4.266860 -4.266860 -0.000000\nK Eu Nb Bi O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 Eu\n0.500000 0.500000 0.500000 Nb\n-0.000000 -0.000000 -0.000000 Bi\n0.735853 0.264147 0.264147 O\n0.264147 0.735853 0.735853 O\n0.735853 0.264147 0.735853 O\n0.264147 0.735853 0.264147 O\n0.735853 0.735853 0.264147 O\n0.264147 0.264147 0.735853 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"K",
"Eu",
"Nb",
"Bi",
"O"
],
"chemical_system": "Bi-Eu-K-Nb-O",
"density": 6.294612712158779,
"density_atomic": 0.0643642664434837,
"volume": 155.36571070503376,
"volume_molar": 9.356341791431522,
"formula_full": "K1 Eu1 Nb1 Bi1 O6",
"formula_reduced": "KEuNbBiO6",
"formula_anonymous": "ABCDE6",
"energy": -79.67578031,
"energy_per_atom": -7.9675780309999995,
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"is_stable": null,
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"energy_uncorrected": -75.55378031,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 6.7135301,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:07.549000Z",
"spacegroup": 216
}
]
}