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"volume": 477.7097363114384,
"volume_molar": 17.980220465562283,
"formula_full": "La10 Si6",
"formula_reduced": "La5Si3",
"formula_anonymous": "A3B5",
"energy": -90.32069088,
"energy_per_atom": -5.64504318,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -90.74669088,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.9152356,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:28.844000Z",
"spacegroup": 193
},
{
"id": "mp-570469",
"created_at": "2022-09-04T14:41:51.746775Z",
"structure_string": "Pr10 Tl6\n1.0\n-6.355425 6.355425 3.182356\n6.355425 -6.355425 3.182356\n6.355425 6.355425 -3.182356\nPr Tl\n10 6\ndirect\n0.585898 0.281747 0.867646 Pr\n0.414102 0.718253 0.132354 Pr\n0.281747 0.414102 0.695849 Pr\n0.914102 0.781747 0.695849 Pr\n0.781747 0.085898 0.867646 Pr\n0.250000 0.750000 0.500000 Pr\n0.750000 0.250000 0.500000 Pr\n0.085898 0.218253 0.304151 Pr\n0.718253 0.585898 0.304151 Pr\n0.218253 0.914102 0.132354 Pr\n0.339246 0.160754 0.500000 Tl\n0.160754 0.660754 0.821508 Tl\n0.750000 0.750000 0.000000 Tl\n0.839246 0.339246 0.178492 Tl\n0.660754 0.839246 0.500000 Tl\n0.250000 0.250000 0.000000 Tl\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Pr",
"Tl"
],
"chemical_system": "Pr-Tl",
"density": 8.511258579528388,
"density_atomic": 0.0311187421566419,
"volume": 514.1595993649443,
"volume_molar": 19.35213425300563,
"formula_full": "Pr10 Tl6",
"formula_reduced": "Pr5Tl3",
"formula_anonymous": "A3B5",
"energy": -67.10220112,
"energy_per_atom": -4.19388757,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -67.10220112,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.3396834,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:26.485000Z",
"spacegroup": 140
}
]
}