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"chemical_system": "Al-B-Ce-Ru",
"density": 6.848580141772348,
"density_atomic": 0.06079616609838075,
"volume": 98.69043370746046,
"volume_molar": 9.905461390862925,
"formula_full": "Ce1 Al2 B1 Ru2",
"formula_reduced": "CeAl2BRu2",
"formula_anonymous": "ABC2D2",
"energy": -42.334663,
"energy_per_atom": -7.055777166666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -42.334663,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.8077938,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:52.869000Z",
"spacegroup": 123
},
{
"id": "mp-1104474",
"created_at": "2022-09-04T14:48:18.804581Z",
"structure_string": "Ce1 Al8 Cr4\n1.0\n0.000000 0.000000 5.023670\n-4.505839 4.505839 2.511835\n-4.505839 -4.505839 2.511835\nCe Al Cr\n1 8 4\ndirect\n0.000000 0.000000 0.000000 Ce\n0.000000 0.342643 0.657357 Al\n0.000000 0.657357 0.342643 Al\n0.657357 0.342643 0.342643 Al\n0.342643 0.657357 0.657357 Al\n0.500000 0.776111 0.223889 Al\n0.500000 0.223889 0.776111 Al\n0.723889 0.776111 0.776111 Al\n0.276111 0.223889 0.223889 Al\n0.000000 0.000000 0.500000 Cr\n0.500000 0.000000 0.500000 Cr\n0.500000 0.500000 0.000000 Cr\n0.000000 0.500000 0.000000 Cr\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Ce",
"Al",
"Cr"
],
"chemical_system": "Al-Ce-Cr",
"density": 4.590810286879607,
"density_atomic": 0.06372955910426283,
"volume": 203.98697531755622,
"volume_molar": 9.449525219761302,
"formula_full": "Ce1 Al8 Cr4",
"formula_reduced": "Ce(Al2Cr)4",
"formula_anonymous": "AB4C8",
"energy": -77.11312258,
"energy_per_atom": -5.93177866,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -77.11312258,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.4652851,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:11.665000Z",
"spacegroup": 139
}
]
}