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"id": "mp-1105959",
"created_at": "2022-09-04T14:47:32.386136Z",
"structure_string": "Re10 Si6\n1.0\n0.000000 0.000000 4.954043\n-4.732450 4.732450 2.477021\n-4.732450 -4.732450 2.477021\nRe Si\n10 6\ndirect\n0.723465 0.849737 0.703333 Re\n0.276535 0.150263 0.296667 Re\n0.776535 0.296667 0.150263 Re\n0.223465 0.703333 0.849737 Re\n0.573202 0.703333 0.150263 Re\n0.426798 0.296667 0.849737 Re\n0.073202 0.150263 0.703333 Re\n0.926798 0.849737 0.296667 Re\n0.750000 0.500000 0.500000 Re\n0.250000 0.500000 0.500000 Re\n0.170587 0.500000 0.158826 Si\n0.829413 0.500000 0.841174 Si\n0.329413 0.841174 0.500000 Si\n0.670587 0.158826 0.500000 Si\n0.250000 0.000000 0.000000 Si\n0.750000 0.000000 0.000000 Si\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Re",
"Si"
],
"chemical_system": "Re-Si",
"density": 15.195255522285608,
"density_atomic": 0.07210379889597772,
"volume": 221.90231645190823,
"volume_molar": 8.352043654021594,
"formula_full": "Re10 Si6",
"formula_reduced": "Re5Si3",
"formula_anonymous": "A3B5",
"energy": -158.04949698,
"energy_per_atom": -9.87809356125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -158.47549698,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0022737,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:12.490000Z",
"spacegroup": 140
}
]
}