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"id": "mp-1188487",
"created_at": "2022-09-04T14:41:24.642555Z",
"structure_string": "Zr10 Sn2 Pb6\n1.0\n4.493679 -7.783280 0.000000\n4.493679 7.783280 0.000000\n0.000000 0.000000 6.037917\nZr Sn Pb\n10 2 6\ndirect\n0.666667 0.333333 0.000000 Zr\n0.333333 0.666667 0.000000 Zr\n0.333333 0.666667 0.500000 Zr\n0.666667 0.333333 0.500000 Zr\n0.721347 0.721347 0.750000 Zr\n0.278653 0.000000 0.750000 Zr\n0.000000 0.278653 0.750000 Zr\n0.278653 0.278653 0.250000 Zr\n0.721347 0.000000 0.250000 Zr\n0.000000 0.721347 0.250000 Zr\n0.000000 0.000000 0.000000 Sn\n0.000000 0.000000 0.500000 Sn\n0.386333 0.386333 0.750000 Pb\n0.613667 0.000000 0.750000 Pb\n0.000000 0.613667 0.750000 Pb\n0.613667 0.613667 0.250000 Pb\n0.386333 0.000000 0.250000 Pb\n0.000000 0.386333 0.250000 Pb\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Zr",
"Sn",
"Pb"
],
"chemical_system": "Pb-Sn-Zr",
"density": 9.407723675542954,
"density_atomic": 0.04261776501959545,
"volume": 422.35907940558786,
"volume_molar": 14.13058793024704,
"formula_full": "Zr10 Sn2 Pb6",
"formula_reduced": "Zr5SnPb3",
"formula_anonymous": "AB3C5",
"energy": -122.12670186,
"energy_per_atom": -6.78481677,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -122.12670186,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9.97e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:14.817000Z",
"spacegroup": 193
}
]
}