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"id": "mp-2557",
"created_at": "2022-09-04T14:43:23.472223Z",
"structure_string": "Zr4 Al2\n1.0\n2.455165 -4.252470 0.000000\n2.455165 4.252470 0.000000\n0.000000 0.000000 5.953027\nZr Al\n4 2\ndirect\n0.000000 0.000000 0.500000 Zr\n0.000000 0.000000 0.000000 Zr\n0.333333 0.666667 0.750000 Zr\n0.666667 0.333333 0.250000 Zr\n0.333333 0.666667 0.250000 Al\n0.666667 0.333333 0.750000 Al\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Zr",
"Al"
],
"chemical_system": "Al-Zr",
"density": 5.5953497503901035,
"density_atomic": 0.048268239573810545,
"volume": 124.3053414207277,
"volume_molar": 12.476404387591343,
"formula_full": "Zr4 Al2",
"formula_reduced": "Zr2Al",
"formula_anonymous": "AB2",
"energy": -43.83039678,
"energy_per_atom": -7.30506613,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -43.83039678,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:15.135000Z",
"spacegroup": 194
}
]
}