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"formula_reduced": "BaYSnSbO6",
"formula_anonymous": "ABCDE6",
"energy": -72.24181702,
"energy_per_atom": -7.224181702,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -68.11981702,
"band_gap": 2.6432,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:44.096000Z",
"spacegroup": 216
},
{
"id": "mp-1516386",
"created_at": "2022-09-04T14:44:59.116358Z",
"structure_string": "K1 Ca1 Bi1 W1 O6\n1.0\n0.000000 -4.257119 -4.257119\n4.257119 -0.000000 -4.257119\n4.257119 -4.257119 0.000000\nK Ca Bi W O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 Ca\n-0.000000 0.000000 -0.000000 Bi\n0.500000 0.500000 0.500000 W\n0.728672 0.271328 0.271328 O\n0.271328 0.728672 0.728672 O\n0.728672 0.271328 0.728672 O\n0.271328 0.728672 0.271328 O\n0.728672 0.728672 0.271328 O\n0.271328 0.271328 0.728672 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"K",
"Ca",
"Bi",
"W",
"O"
],
"chemical_system": "Bi-Ca-K-O-W",
"density": 6.112442559435372,
"density_atomic": 0.06480710679945799,
"volume": 154.30406469068967,
"volume_molar": 9.29240797407479,
"formula_full": "K1 Ca1 Bi1 W1 O6",
"formula_reduced": "KCaBiWO6",
"formula_anonymous": "ABCDE6",
"energy": -71.74823487,
"energy_per_atom": -7.174823487,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -63.18823487,
"band_gap": 2.1352999999999995,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:48.557000Z",
"spacegroup": 216
}
]
}