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{
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{
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{
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"structure_string": "Ba1 Mg1 Sb4 O8\n1.0\n3.066036 -5.310530 0.000000\n3.066036 5.310530 0.000000\n0.000000 0.000000 7.184343\nBa Mg Sb O\n1 1 4 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Mg\n0.333333 0.666667 0.717596 Sb\n0.666667 0.333333 0.717596 Sb\n0.333333 0.666667 0.282404 Sb\n0.666667 0.333333 0.282404 Sb\n0.286675 0.286675 0.699866 O\n0.713325 0.000000 0.699866 O\n0.000000 0.713325 0.699866 O\n0.713325 0.713325 0.300134 O\n0.000000 0.286675 0.300134 O\n0.286675 0.000000 0.300134 O\n0.333333 0.666667 0.000000 O\n0.666667 0.333333 0.000000 O\n",
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{
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{
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"Li",
"Ti",
"Ni",
"Te",
"O"
],
"chemical_system": "Li-Ni-O-Te-Ti",
"density": 4.5898152817813305,
"density_atomic": 0.09013537099643548,
"volume": 621.287729566394,
"volume_molar": 6.6812181426957835,
"formula_full": "Li8 Ti6 Ni6 Te4 O32",
"formula_reduced": "Li4Ti3Ni3(TeO8)2",
"formula_anonymous": "A2B3C3D4E16",
"energy": -396.31275671,
"energy_per_atom": -7.077013512678571,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -359.08275671,
"band_gap": 1.3917000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.7e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:24.787000Z",
"spacegroup": 8
}
]
}