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"id": "mp-1194204",
"created_at": "2022-09-04T14:46:58.144964Z",
"structure_string": "Hf18 Fe2 Re8\n1.0\n0.000000 0.000000 -8.425345\n-4.294086 -7.439390 0.000000\n-4.294086 7.439390 0.000000\nHf Fe Re\n18 2 8\ndirect\n0.558206 0.799703 0.599370 Hf\n0.558270 0.799662 0.200338 Hf\n0.558206 0.400630 0.200297 Hf\n0.441794 0.200297 0.400630 Hf\n0.441730 0.200338 0.799662 Hf\n0.441794 0.599370 0.799703 Hf\n0.058206 0.200297 0.400630 Hf\n0.058270 0.200338 0.799662 Hf\n0.058206 0.599370 0.799703 Hf\n0.941794 0.799703 0.599370 Hf\n0.941730 0.799662 0.200338 Hf\n0.941794 0.400630 0.200297 Hf\n0.750000 0.460657 0.921359 Hf\n0.750000 0.460628 0.539372 Hf\n0.750000 0.078641 0.539342 Hf\n0.250000 0.539342 0.078641 Hf\n0.250000 0.539372 0.460628 Hf\n0.250000 0.921359 0.460657 Hf\n0.750000 0.666595 0.333405 Fe\n0.250000 0.333405 0.666595 Fe\n0.750000 0.110077 0.220200 Re\n0.750000 0.110098 0.889902 Re\n0.750000 0.779800 0.889923 Re\n0.250000 0.889923 0.779800 Re\n0.250000 0.889902 0.110098 Re\n0.250000 0.220200 0.110077 Re\n0.500000 0.000000 0.000000 Re\n0.000000 0.000000 0.000000 Re\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Hf",
"Fe",
"Re"
],
"chemical_system": "Fe-Hf-Re",
"density": 14.85061383555053,
"density_atomic": 0.0520154401362116,
"volume": 538.3017028535578,
"volume_molar": 11.577602235470783,
"formula_full": "Hf18 Fe2 Re8",
"formula_reduced": "Hf9FeRe4",
"formula_anonymous": "AB4C9",
"energy": -304.34112657,
"energy_per_atom": -10.869325948928571,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -304.34112657,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001972,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:48.100000Z",
"spacegroup": 194
}
]
}