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{
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{
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{
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"id": "mp-1173223",
"created_at": "2022-09-04T14:45:09.817916Z",
"structure_string": "Sr6 Y4 Fe2 Cu6 Bi2 O24\n1.0\n5.772165 0.000000 0.000000\n0.000000 10.615526 0.000000\n0.000000 5.303266 10.514042\nSr Y Fe Cu Bi O\n6 4 2 6 2 24\ndirect\n0.750000 0.481354 0.414047 Sr\n0.250000 0.518646 0.585953 Sr\n0.250000 0.412222 0.200654 Sr\n0.250000 0.076056 0.753392 Sr\n0.750000 0.923944 0.246608 Sr\n0.750000 0.587778 0.799346 Sr\n0.750000 0.705463 0.025339 Y\n0.250000 0.734064 0.269257 Y\n0.250000 0.294537 0.974661 Y\n0.750000 0.265936 0.730743 Y\n0.750000 0.308430 0.226756 Fe\n0.250000 0.691570 0.773244 Fe\n0.250000 0.003602 0.042152 Cu\n0.250000 0.762726 0.987713 Cu\n0.250000 0.276077 0.477342 Cu\n0.750000 0.723923 0.522658 Cu\n0.750000 0.237274 0.012287 Cu\n0.750000 0.996398 0.957848 Cu\n0.250000 0.905957 0.480001 Bi\n0.750000 0.094043 0.519999 Bi\n0.750000 0.961382 0.425517 O\n0.750000 0.503598 0.187306 O\n0.021209 0.291886 0.594671 O\n0.750000 0.033650 0.783405 O\n0.974188 0.302378 0.100129 O\n0.987190 0.174555 0.922174 O\n0.982701 0.245629 0.368169 O\n0.017299 0.754371 0.631831 O\n0.250000 0.499450 0.354984 O\n0.012810 0.825445 0.077826 O\n0.025812 0.697622 0.899871 O\n0.250000 0.966350 0.216595 O\n0.978791 0.708114 0.405329 O\n0.482701 0.754371 0.631831 O\n0.250000 0.496402 0.812694 O\n0.487190 0.825445 0.077826 O\n0.474188 0.697622 0.899871 O\n0.250000 0.038618 0.574483 O\n0.521209 0.708114 0.405329 O\n0.478791 0.291886 0.594671 O\n0.525812 0.302378 0.100129 O\n0.512810 0.174555 0.922174 O\n0.517299 0.245629 0.368169 O\n0.750000 0.500550 0.645016 O\n",
"nsites": 44,
"nelements": 6,
"elements": [
"Sr",
"Y",
"Fe",
"Cu",
"Bi",
"O"
],
"chemical_system": "Bi-Cu-Fe-O-Sr-Y",
"density": 5.60930527231682,
"density_atomic": 0.068297170801545,
"volume": 644.2433776335087,
"volume_molar": 8.817555235924603,
"formula_full": "Sr6 Y4 Fe2 Cu6 Bi2 O24",
"formula_reduced": "Sr3Y2FeCu3BiO12",
"formula_anonymous": "ABC2D3E3F12",
"energy": -300.18352383,
"energy_per_atom": -6.822352814318182,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -279.18352383,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 16.0044522,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:47.556000Z",
"spacegroup": 11
}
]
}