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{
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{
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{
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{
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{
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{
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{
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"structure_string": "Ba3 Li1 As2 O8\n1.0\n7.092341 1.033455 6.418598\n3.922365 5.998699 6.418598\n1.317779 0.841314 7.460477\nBa Li As O\n3 1 2 8\ndirect\n0.668141 0.668141 0.014372 Ba\n0.331859 0.331859 0.985628 Ba\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Li\n0.665471 0.665471 0.454119 As\n0.334529 0.334529 0.545881 As\n0.669705 0.669705 0.676385 O\n0.330295 0.330295 0.323615 O\n0.825155 0.825155 0.034976 O\n0.824877 0.343009 0.523106 O\n0.343009 0.824877 0.523106 O\n0.175123 0.656991 0.476894 O\n0.174845 0.174845 0.965024 O\n0.656991 0.175123 0.476894 O\n",
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"formula_full": "Ba3 Li1 As2 O8",
"formula_reduced": "Ba3Li(AsO4)2",
"formula_anonymous": "AB2C3D8",
"energy": -91.02310589,
"energy_per_atom": -6.501650420714285,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -85.52710589,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001304,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:41.277000Z",
"spacegroup": 164
}
]
}