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"id": "mp-1223823",
"created_at": "2022-09-04T14:46:55.853865Z",
"structure_string": "Hf4 Cr6 Si2\n1.0\n2.495507 -4.322345 0.000000\n2.495507 4.322345 0.000000\n0.000000 0.000000 8.269098\nHf Cr Si\n4 6 2\ndirect\n0.333333 0.666667 0.436611 Hf\n0.666667 0.333333 0.563389 Hf\n0.666667 0.333333 0.936611 Hf\n0.333333 0.666667 0.063389 Hf\n0.827505 0.172495 0.250000 Cr\n0.827505 0.655010 0.250000 Cr\n0.344990 0.172495 0.250000 Cr\n0.172495 0.827505 0.750000 Cr\n0.172495 0.344990 0.750000 Cr\n0.655010 0.827505 0.750000 Cr\n0.000000 0.000000 0.500000 Si\n0.000000 0.000000 0.000000 Si\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Hf",
"Cr",
"Si"
],
"chemical_system": "Cr-Hf-Si",
"density": 10.072869079957965,
"density_atomic": 0.06726898745838744,
"volume": 178.38829531101823,
"volume_molar": 8.952328535828332,
"formula_full": "Hf4 Cr6 Si2",
"formula_reduced": "Hf2Cr3Si",
"formula_anonymous": "AB2C3",
"energy": -112.55935672,
"energy_per_atom": -9.379946393333332,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -112.70135672,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.005067,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:45.435000Z",
"spacegroup": 194
}
]
}