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{
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{
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"created_at": "2022-09-04T14:41:30.875967Z",
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{
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"structure_string": "Lu10 Si6\n1.0\n4.117751 -7.132155 0.000000\n4.117751 7.132155 0.000000\n0.000000 0.000000 6.168525\nLu Si\n10 6\ndirect\n0.666667 0.333333 0.000000 Lu\n0.333333 0.666667 0.500000 Lu\n0.333333 0.666667 0.000000 Lu\n0.666667 0.333333 0.500000 Lu\n0.758059 0.000000 0.750000 Lu\n0.758059 0.758059 0.250000 Lu\n0.000000 0.241941 0.250000 Lu\n0.000000 0.758059 0.750000 Lu\n0.241941 0.241941 0.750000 Lu\n0.241941 0.000000 0.250000 Lu\n0.395066 0.000000 0.750000 Si\n0.395066 0.395066 0.250000 Si\n0.000000 0.604934 0.250000 Si\n0.000000 0.395066 0.750000 Si\n0.604934 0.604934 0.750000 Si\n0.604934 0.000000 0.250000 Si\n",
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{
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{
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"chemical_system": "Si-Tm",
"density": 8.257044155535059,
"density_atomic": 0.04282364727656221,
"volume": 373.62534528339796,
"volume_molar": 14.062652630001406,
"formula_full": "Tm10 Si6",
"formula_reduced": "Tm5Si3",
"formula_anonymous": "A3B5",
"energy": -88.13594812,
"energy_per_atom": -5.5084967575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -88.56194812,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001096,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:29.584000Z",
"spacegroup": 193
}
]
}