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{
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{
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{
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{
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{
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"id": "mp-1207789",
"created_at": "2022-09-04T14:42:42.880369Z",
"structure_string": "Y20 Sb12\n1.0\n0.000000 0.000000 -8.148238\n0.000000 -9.321579 0.000000\n-11.964600 0.000000 0.000000\nY Sb\n20 12\ndirect\n0.170848 0.750000 0.771769 Y\n0.829152 0.250000 0.228231 Y\n0.670848 0.250000 0.728231 Y\n0.329152 0.750000 0.271769 Y\n0.808513 0.942546 0.932731 Y\n0.191487 0.057454 0.067269 Y\n0.308513 0.057454 0.567269 Y\n0.191487 0.442546 0.067269 Y\n0.691487 0.942546 0.432731 Y\n0.808513 0.557454 0.932731 Y\n0.691487 0.557454 0.432731 Y\n0.308513 0.442546 0.567269 Y\n0.657578 0.750000 0.708477 Y\n0.342422 0.250000 0.291523 Y\n0.157578 0.250000 0.791523 Y\n0.842422 0.750000 0.208477 Y\n0.471853 0.750000 0.995098 Y\n0.528147 0.250000 0.004902 Y\n0.971853 0.250000 0.504902 Y\n0.028147 0.750000 0.495098 Y\n0.935605 0.991279 0.673624 Sb\n0.064395 0.008721 0.326376 Sb\n0.435605 0.008721 0.826376 Sb\n0.064395 0.491279 0.326376 Sb\n0.564395 0.991279 0.173624 Sb\n0.935605 0.508721 0.673624 Sb\n0.564395 0.508721 0.173624 Sb\n0.435605 0.491279 0.826376 Sb\n0.406265 0.750000 0.524236 Sb\n0.593735 0.250000 0.475764 Sb\n0.906265 0.250000 0.975764 Sb\n0.093735 0.750000 0.024236 Sb\n",
"nsites": 32,
"nelements": 2,
"elements": [
"Y",
"Sb"
],
"chemical_system": "Sb-Y",
"density": 5.9188924386341455,
"density_atomic": 0.03521264141754116,
"volume": 908.7645434079596,
"volume_molar": 17.102212494062073,
"formula_full": "Y20 Sb12",
"formula_reduced": "Y5Sb3",
"formula_anonymous": "A3B5",
"energy": -211.38099906,
"energy_per_atom": -6.605656220625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -209.07699906,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.057104,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:01.396000Z",
"spacegroup": 62
}
]
}