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"density": 6.572693786837422,
"density_atomic": 0.07591509361343615,
"volume": 131.72611036904667,
"volume_molar": 7.932731784096945,
"formula_full": "Na1 Ca1 Hf1 W1 O6",
"formula_reduced": "NaCaHfWO6",
"formula_anonymous": "ABCDE6",
"energy": -84.74575559,
"energy_per_atom": -8.474575559,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -76.18575559,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:42.847000Z",
"spacegroup": 216
},
{
"id": "mp-1517265",
"created_at": "2022-09-04T14:44:42.460774Z",
"structure_string": "Ba1 Li1 Zr1 Bi1 O6\n1.0\n0.000000 -4.215784 -4.215784\n4.215784 0.000000 -4.215784\n4.215784 -4.215784 0.000000\nBa Li Zr Bi O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Li\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Bi\n0.748914 0.251086 0.251086 O\n0.251086 0.748914 0.748914 O\n0.748914 0.251086 0.748914 O\n0.251086 0.748914 0.251086 O\n0.748914 0.748914 0.251086 O\n0.251086 0.251086 0.748914 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Li",
"Zr",
"Bi",
"O"
],
"chemical_system": "Ba-Bi-Li-O-Zr",
"density": 5.98900500812005,
"density_atomic": 0.06673212437740669,
"volume": 149.85286461801405,
"volume_molar": 9.024350440189043,
"formula_full": "Ba1 Li1 Zr1 Bi1 O6",
"formula_reduced": "BaLiZrBiO6",
"formula_anonymous": "ABCDE6",
"energy": -71.03052114,
"energy_per_atom": -7.1030521140000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -66.90852114,
"band_gap": 1.0751,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:43.632000Z",
"spacegroup": 216
}
]
}