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"id": "mp-1213227",
"created_at": "2022-09-04T14:44:53.616138Z",
"structure_string": "Dy4 Si12 Ni20\n1.0\n3.786781 0.000000 0.000000\n0.000000 6.586044 0.000000\n0.000000 0.000000 18.679812\nDy Si Ni\n4 12 20\ndirect\n0.250000 0.876240 0.355895 Dy\n0.750000 0.123760 0.644105 Dy\n0.750000 0.376240 0.144105 Dy\n0.250000 0.623760 0.855895 Dy\n0.250000 0.081347 0.085637 Si\n0.750000 0.918653 0.914363 Si\n0.750000 0.581347 0.414363 Si\n0.250000 0.418653 0.585637 Si\n0.250000 0.655265 0.074492 Si\n0.750000 0.344735 0.925508 Si\n0.750000 0.155265 0.425508 Si\n0.250000 0.844735 0.574492 Si\n0.250000 0.376340 0.262588 Si\n0.750000 0.623660 0.737412 Si\n0.750000 0.876340 0.237412 Si\n0.250000 0.123660 0.762588 Si\n0.250000 0.068230 0.206131 Ni\n0.750000 0.931770 0.793869 Ni\n0.750000 0.568230 0.293869 Ni\n0.250000 0.431770 0.706131 Ni\n0.250000 0.614822 0.484953 Ni\n0.750000 0.385178 0.515047 Ni\n0.750000 0.114822 0.015047 Ni\n0.250000 0.885178 0.984953 Ni\n0.250000 0.683953 0.199563 Ni\n0.750000 0.316047 0.800437 Ni\n0.750000 0.183953 0.300437 Ni\n0.250000 0.816047 0.699563 Ni\n0.250000 0.356722 0.384708 Ni\n0.750000 0.643278 0.615292 Ni\n0.750000 0.856722 0.115292 Ni\n0.250000 0.143278 0.884708 Ni\n0.250000 0.367473 0.005311 Ni\n0.750000 0.632527 0.994689 Ni\n0.750000 0.867473 0.494689 Ni\n0.250000 0.132527 0.505311 Ni\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Dy",
"Si",
"Ni"
],
"chemical_system": "Dy-Ni-Si",
"density": 7.7022080030405204,
"density_atomic": 0.07727431830681927,
"volume": 465.872760689538,
"volume_molar": 7.793198169783869,
"formula_full": "Dy4 Si12 Ni20",
"formula_reduced": "DySi3Ni5",
"formula_anonymous": "AB3C5",
"energy": -224.04463347,
"energy_per_atom": -6.223462040833334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -224.89663347,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0274087,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:49.304000Z",
"spacegroup": 62
}
]
}