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"id": "mp-1246032",
"created_at": "2022-09-04T14:48:22.222546Z",
"structure_string": "Y4 Cd6 N8\n1.0\n7.530630 -0.345916 0.183419\n-6.056014 7.738855 0.000000\n0.139044 0.108809 4.939183\nY Cd N\n4 6 8\ndirect\n0.779617 0.258632 0.519933 Y\n0.220383 0.479015 0.980067 Y\n0.220383 0.741368 0.480067 Y\n0.779617 0.520985 0.019933 Y\n0.402191 0.084951 0.061972 Cd\n0.597809 0.682760 0.438028 Cd\n0.597809 0.915049 0.938028 Cd\n0.402191 0.317240 0.561972 Cd\n0.000000 0.903316 0.750000 Cd\n0.000000 0.096684 0.250000 Cd\n0.334234 0.042824 0.533306 N\n0.665766 0.708592 0.966694 N\n0.665766 0.957176 0.466694 N\n0.334234 0.291408 0.033306 N\n0.805114 0.282880 0.004950 N\n0.194886 0.477767 0.495050 N\n0.194886 0.717120 0.995050 N\n0.805114 0.522233 0.504950 N\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Y",
"Cd",
"N"
],
"chemical_system": "Cd-N-Y",
"density": 6.842319732807063,
"density_atomic": 0.0649391036203286,
"volume": 277.1827604094809,
"volume_molar": 9.273519996840275,
"formula_full": "Y4 Cd6 N8",
"formula_reduced": "Y2Cd3N4",
"formula_anonymous": "A2B3C4",
"energy": -106.69802521,
"energy_per_atom": -5.927668067222222,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -103.81002521,
"band_gap": 0.0304999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0012352,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:04.432000Z",
"spacegroup": 15
}
]
}