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"structure_string": "Dy4 Ge6 Rh7\n1.0\n-4.209278 4.209278 4.209278\n4.209278 -4.209278 4.209278\n4.209278 4.209278 -4.209278\nDy Ge Rh\n4 6 7\ndirect\n0.000000 0.000000 0.500000 Dy\n0.000000 0.500000 0.000000 Dy\n0.500000 0.000000 0.000000 Dy\n0.500000 0.500000 0.500000 Dy\n0.679815 0.679815 0.000000 Ge\n0.320185 0.000000 0.320185 Ge\n0.000000 0.320185 0.320185 Ge\n0.320185 0.320185 0.000000 Ge\n0.679815 0.000000 0.679815 Ge\n0.000000 0.679815 0.679815 Ge\n0.750000 0.250000 0.500000 Rh\n0.750000 0.500000 0.250000 Rh\n0.500000 0.250000 0.750000 Rh\n0.250000 0.500000 0.750000 Rh\n0.250000 0.750000 0.500000 Rh\n0.500000 0.750000 0.250000 Rh\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 17,
"nelements": 3,
"elements": [
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"Ge",
"Rh"
],
"chemical_system": "Dy-Ge-Rh",
"density": 10.053723708109318,
"density_atomic": 0.05698572809975373,
"volume": 298.3203087313623,
"volume_molar": 10.567805239687772,
"formula_full": "Dy4 Ge6 Rh7",
"formula_reduced": "Dy4Ge6Rh7",
"formula_anonymous": "A4B6C7",
"energy": -113.73080854,
"energy_per_atom": -6.6900475611764705,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -113.73080854,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.010499,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:28.182000Z",
"spacegroup": 229
},
{
"id": "mp-541558",
"created_at": "2022-09-04T14:40:19.457064Z",
"structure_string": "Sc4 Ge6 Rh7\n1.0\n-4.097812 4.097812 4.097812\n4.097812 -4.097812 4.097812\n4.097812 4.097812 -4.097812\nSc Ge Rh\n4 6 7\ndirect\n0.500000 0.500000 0.500000 Sc\n0.000000 0.000000 0.500000 Sc\n0.500000 0.000000 0.000000 Sc\n0.000000 0.500000 0.000000 Sc\n0.314059 0.314059 0.000000 Ge\n0.000000 0.314059 0.314059 Ge\n0.000000 0.685941 0.685941 Ge\n0.685941 0.000000 0.685941 Ge\n0.314059 0.000000 0.314059 Ge\n0.685941 0.685941 0.000000 Ge\n0.750000 0.250000 0.500000 Rh\n0.500000 0.250000 0.750000 Rh\n0.500000 0.750000 0.250000 Rh\n0.250000 0.500000 0.750000 Rh\n0.750000 0.500000 0.250000 Rh\n0.250000 0.750000 0.500000 Rh\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 17,
"nelements": 3,
"elements": [
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"Ge",
"Rh"
],
"chemical_system": "Ge-Rh-Sc",
"density": 8.060095226458646,
"density_atomic": 0.061763633943027585,
"volume": 275.242872135426,
"volume_molar": 9.750301877565985,
"formula_full": "Sc4 Ge6 Rh7",
"formula_reduced": "Sc4Ge6Rh7",
"formula_anonymous": "A4B6C7",
"energy": -120.31547592,
"energy_per_atom": -7.077380936470588,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -120.31547592,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.016173,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:52.876000Z",
"spacegroup": 229
}
]
}