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"structure_string": "Lu3 Al1\n1.0\n4.662507 0.000000 0.000000\n0.000000 4.662507 0.000000\n0.000000 0.000000 4.662507\nLu Al\n3 1\ndirect\n0.000000 0.500000 0.500000 Lu\n0.500000 0.000000 0.500000 Lu\n0.500000 0.500000 0.000000 Lu\n0.000000 0.000000 0.000000 Al\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Lu",
"Al"
],
"chemical_system": "Al-Lu",
"density": 9.041432831301847,
"density_atomic": 0.03946403619808339,
"volume": 101.35810690834163,
"volume_molar": 15.259819674229043,
"formula_full": "Lu3 Al1",
"formula_reduced": "Lu3Al",
"formula_anonymous": "AB3",
"energy": -18.08514207,
"energy_per_atom": -4.5212855175,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.08514207,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004652,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:13.678000Z",
"spacegroup": 221
},
{
"id": "mp-1238834",
"created_at": "2022-09-04T14:40:59.426901Z",
"structure_string": "V2 C2\n1.0\n-1.463052 -2.534208 0.000010\n-1.462903 2.534122 -0.000162\n-0.000048 0.000046 -4.901325\nV C\n2 2\ndirect\n0.333137 0.666289 0.684316 V\n0.666861 0.333702 0.184225 V\n0.999989 0.999980 0.933027 C\n0.000013 0.000028 0.433216 C\n",
"nsites": 4,
"nelements": 2,
"elements": [
"V",
"C"
],
"chemical_system": "C-V",
"density": 5.7527297713588466,
"density_atomic": 0.11006366242748539,
"volume": 36.342603106046646,
"volume_molar": 5.471506787235652,
"formula_full": "V2 C2",
"formula_reduced": "VC",
"formula_anonymous": "AB",
"energy": -37.71822659,
"energy_per_atom": -9.4295566475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -37.71822659,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010915,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:13.725000Z",
"spacegroup": 194
}
]
}