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"id": "mp-3910",
"created_at": "2022-09-04T14:42:19.635346Z",
"structure_string": "Ce2 Al40 Cr4\n1.0\n0.000000 7.222355 7.222355\n7.222355 0.000000 7.222355\n7.222355 7.222355 0.000000\nCe Al Cr\n2 40 4\ndirect\n0.500000 0.500000 0.500000 Ce\n0.750000 0.750000 0.750000 Ce\n0.568428 0.298844 0.298843 Al\n0.298844 0.568428 0.833885 Al\n0.298843 0.833885 0.568428 Al\n0.833885 0.298844 0.298843 Al\n0.298843 0.298844 0.568428 Al\n0.568428 0.833885 0.298844 Al\n0.833885 0.568428 0.298843 Al\n0.298844 0.298844 0.833885 Al\n0.298843 0.568428 0.298843 Al\n0.833885 0.298844 0.568428 Al\n0.568428 0.298843 0.833885 Al\n0.298843 0.833885 0.298843 Al\n0.681572 0.951157 0.951157 Al\n0.951156 0.681572 0.416115 Al\n0.951156 0.416115 0.681572 Al\n0.416115 0.951156 0.951156 Al\n0.951156 0.951157 0.681572 Al\n0.681572 0.416115 0.951157 Al\n0.416115 0.681572 0.951156 Al\n0.951156 0.951156 0.416115 Al\n0.951156 0.681572 0.951157 Al\n0.416115 0.951156 0.681572 Al\n0.681572 0.951156 0.416115 Al\n0.951156 0.416115 0.951157 Al\n0.863779 0.863779 0.136221 Al\n0.136221 0.136221 0.863779 Al\n0.863779 0.136221 0.863779 Al\n0.136221 0.863779 0.136221 Al\n0.136221 0.863779 0.863779 Al\n0.863779 0.136221 0.136221 Al\n0.386221 0.386221 0.113779 Al\n0.113779 0.113779 0.386221 Al\n0.386221 0.113779 0.386221 Al\n0.113779 0.386221 0.113779 Al\n0.113779 0.386221 0.386221 Al\n0.386221 0.113779 0.113779 Al\n0.125000 0.625000 0.625000 Al\n0.625000 0.125000 0.625000 Al\n0.625000 0.625000 0.125000 Al\n0.625000 0.625000 0.625000 Al\n0.625000 0.125000 0.125000 Cr\n0.125000 0.625000 0.125000 Cr\n0.125000 0.125000 0.625000 Cr\n0.125000 0.125000 0.125000 Cr\n",
"nsites": 46,
"nelements": 3,
"elements": [
"Ce",
"Al",
"Cr"
],
"chemical_system": "Al-Ce-Cr",
"density": 3.454490844338154,
"density_atomic": 0.06105079752194219,
"volume": 753.470910571925,
"volume_molar": 9.864147569629358,
"formula_full": "Ce2 Al40 Cr4",
"formula_reduced": "Ce(Al10Cr)2",
"formula_anonymous": "AB2C20",
"energy": -208.15773668,
"energy_per_atom": -4.525168188695652,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -208.15773668,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.4705527,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:46.741000Z",
"spacegroup": 227
}
]
}