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{
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{
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{
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{
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{
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"formula_full": "Tb10 Ni2 Pb6",
"formula_reduced": "Tb5NiPb3",
"formula_anonymous": "AB3C5",
"energy": -89.71977492,
"energy_per_atom": -4.98443194,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -89.71977492,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0022468,
"is_theoretical": false,
"updated_at": "2021-11-28T01:40:05.035000Z",
"spacegroup": 193
},
{
"id": "mp-1390662",
"created_at": "2022-09-04T14:48:19.674539Z",
"structure_string": "Sb4 Xe2 F28\n1.0\n-8.228957 0.000000 0.000000\n3.204310 7.867667 0.000000\n-0.080843 -4.041039 -8.943055\nSb Xe F\n4 2 28\ndirect\n0.205784 0.359983 0.770736 Sb\n0.794216 0.640017 0.229264 Sb\n0.508976 0.126363 0.708431 Sb\n0.491024 0.873637 0.291569 Sb\n0.192335 0.294422 0.258859 Xe\n0.807665 0.705578 0.741141 Xe\n0.122175 0.376291 0.571607 F\n0.877825 0.623709 0.428393 F\n0.410525 0.562919 0.705653 F\n0.589475 0.437081 0.294347 F\n0.345251 0.889285 0.764315 F\n0.654749 0.110715 0.235685 F\n0.648814 0.805951 0.216849 F\n0.351186 0.194049 0.783151 F\n0.651023 0.803769 0.485777 F\n0.348977 0.196231 0.514223 F\n0.364014 0.618542 0.360713 F\n0.635986 0.381458 0.639287 F\n0.682865 0.681190 0.027827 F\n0.317135 0.318810 0.972173 F\n0.350846 0.921842 0.100487 F\n0.649154 0.078158 0.899513 F\n0.975597 0.862631 0.160785 F\n0.024403 0.137369 0.839215 F\n0.921707 0.487012 0.241213 F\n0.078293 0.512988 0.758787 F\n0.355445 0.938094 0.369613 F\n0.644555 0.061906 0.630387 F\n0.004624 0.722869 0.905663 F\n0.995376 0.277131 0.094337 F\n0.957326 0.957283 0.633261 F\n0.042674 0.042717 0.366739 F\n0.719057 0.456324 0.897723 F\n0.280943 0.543676 0.102277 F\n",
"nsites": 34,
"nelements": 3,
"elements": [
"Sb",
"Xe",
"F"
],
"chemical_system": "F-Sb-Xe",
"density": 3.675518314334496,
"density_atomic": 0.058722191142544754,
"volume": 578.9974682223105,
"volume_molar": 10.255306627407004,
"formula_full": "Sb4 Xe2 F28",
"formula_reduced": "Sb2XeF14",
"formula_anonymous": "AB2C14",
"energy": -93.1961568,
"energy_per_atom": -2.7410634352941177,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -80.2601568,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.234106,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:35.878000Z",
"spacegroup": 2
}
]
}