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"id": "mp-1096221",
"created_at": "2022-09-04T14:40:56.647857Z",
"structure_string": "Y1 Hf1 Au2\n1.0\n-5.422690 5.935354 8.243766\n5.422690 -5.935354 8.243766\n5.422690 5.935354 -8.243766\nY Hf Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.000000 0.500000 0.500000 Hf\n0.000000 0.253993 0.253993 Au\n0.000000 0.746007 0.746007 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Hf",
"Au"
],
"chemical_system": "Au-Hf-Y",
"density": 1.0347122853977795,
"density_atomic": 0.003768885467890656,
"volume": 1061.3217180724498,
"volume_molar": 159.78571944693323,
"formula_full": "Y1 Hf1 Au2",
"formula_reduced": "YHfAu2",
"formula_anonymous": "ABC2",
"energy": -14.70549395,
"energy_per_atom": -3.6763734875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.70549395,
"band_gap": 0.1123999999999996,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.0000588,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:59.931000Z",
"spacegroup": 71
}
]
}