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{
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{
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{
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"id": "mp-1848",
"created_at": "2022-09-04T14:39:06.471409Z",
"structure_string": "Te8 Ru4\n1.0\n6.466162 0.000000 0.000000\n0.000000 6.466162 0.000000\n0.000000 0.000000 6.466162\nTe Ru\n8 4\ndirect\n0.372489 0.372489 0.372489 Te\n0.127511 0.627511 0.872489 Te\n0.872489 0.127511 0.627511 Te\n0.627511 0.872489 0.127511 Te\n0.627511 0.627511 0.627511 Te\n0.872489 0.372489 0.127511 Te\n0.127511 0.872489 0.372489 Te\n0.372489 0.127511 0.872489 Te\n0.000000 0.000000 0.000000 Ru\n0.500000 0.000000 0.500000 Ru\n0.500000 0.500000 0.000000 Ru\n0.000000 0.500000 0.500000 Ru\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Te",
"Ru"
],
"chemical_system": "Ru-Te",
"density": 8.752832136044448,
"density_atomic": 0.04438553949824026,
"volume": 270.3583224549013,
"volume_molar": 13.567798945507374,
"formula_full": "Te8 Ru4",
"formula_reduced": "Te2Ru",
"formula_anonymous": "AB2",
"energy": -69.59476205,
"energy_per_atom": -5.799563504166667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -66.21876205,
"band_gap": 0.1140999999999996,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1e-07,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:29.364000Z",
"spacegroup": 205
}
]
}