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{
"id": "mp-1188741",
"created_at": "2022-09-04T14:45:53.991175Z",
"structure_string": "Zr6 Co4 Si6\n1.0\n1.932793 -5.037920 0.000000\n1.932793 5.037920 0.000000\n0.000000 0.000000 12.961694\nZr Co Si\n6 4 6\ndirect\n0.924640 0.075360 0.383592 Zr\n0.075360 0.924640 0.616408 Zr\n0.924640 0.075360 0.116408 Zr\n0.075360 0.924640 0.883592 Zr\n0.635909 0.364091 0.250000 Zr\n0.364091 0.635909 0.750000 Zr\n0.780311 0.219689 0.919714 Co\n0.219689 0.780311 0.080286 Co\n0.780311 0.219689 0.580286 Co\n0.219689 0.780311 0.419714 Co\n0.611148 0.388852 0.458165 Si\n0.388852 0.611148 0.541835 Si\n0.611148 0.388852 0.041835 Si\n0.388852 0.611148 0.958165 Si\n0.334123 0.665877 0.250000 Si\n0.665877 0.334123 0.750000 Si\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Zr",
"Co",
"Si"
],
"chemical_system": "Co-Si-Zr",
"density": 6.259944684701478,
"density_atomic": 0.06338574683576585,
"volume": 252.42267857877297,
"volume_molar": 9.500780633860048,
"formula_full": "Zr6 Co4 Si6",
"formula_reduced": "Zr3Co2Si3",
"formula_anonymous": "A2B3C3",
"energy": -125.83167118,
"energy_per_atom": -7.86447944875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -126.25767118,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0012219,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:11.064000Z",
"spacegroup": 63
}
]
}