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{
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{
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{
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"total_magnetization": 5.48e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:02.127000Z",
"spacegroup": 225
},
{
"id": "mp-1228529",
"created_at": "2022-09-04T14:39:16.555063Z",
"structure_string": "Ba2 Sr1 Tm6 O12\n1.0\n-0.000009 0.000003 -3.441932\n-5.181666 -8.974873 -0.000006\n-5.181710 8.974898 -0.000020\nBa Sr Tm O\n2 1 6 12\ndirect\n0.504431 0.000002 0.000001 Ba\n0.748093 0.666668 0.333333 Ba\n0.252551 0.333330 0.666668 Sr\n0.755874 0.345232 0.994583 Tm\n0.755872 0.005417 0.350649 Tm\n0.755865 0.649346 0.654763 Tm\n0.242741 0.651231 0.998116 Tm\n0.242761 0.001886 0.653116 Tm\n0.242769 0.346885 0.348773 Tm\n0.744880 0.886114 0.695241 O\n0.744879 0.304759 0.190874 O\n0.744888 0.809129 0.113882 O\n0.254084 0.110272 0.296390 O\n0.254081 0.703613 0.813881 O\n0.254081 0.186118 0.889731 O\n0.749907 0.126720 0.606990 O\n0.749908 0.393011 0.519731 O\n0.749907 0.480268 0.873278 O\n0.250810 0.890630 0.402346 O\n0.250807 0.597651 0.488282 O\n0.250812 0.511718 0.109371 O\n",
"nsites": 21,
"nelements": 4,
"elements": [
"Ba",
"Sr",
"Tm",
"O"
],
"chemical_system": "Ba-O-Sr-Tm",
"density": 8.1325597063061,
"density_atomic": 0.06559743181184653,
"volume": 320.13448423155364,
"volume_molar": 9.180452029392459,
"formula_full": "Ba2 Sr1 Tm6 O12",
"formula_reduced": "Ba2SrTm6O12",
"formula_anonymous": "AB2C6D12",
"energy": -169.9989192,
"energy_per_atom": -8.095186628571428,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -161.7549192,
"band_gap": 2.4154,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007449,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:38.997000Z",
"spacegroup": 143
}
]
}