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"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -559.9665062,
"band_gap": 1.0448,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 24.0006769,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:33.771000Z",
"spacegroup": 142
},
{
"id": "mp-559088",
"created_at": "2022-09-04T14:46:32.746863Z",
"structure_string": "La8 Si4 I8 O16\n1.0\n8.582554 0.000000 0.000000\n-0.013533 8.597118 0.000000\n-1.992876 -3.722771 11.536282\nLa Si I O\n8 4 8 16\ndirect\n0.222692 0.216048 0.186648 La\n0.363424 0.715751 0.186806 La\n0.159381 0.433058 0.875084 La\n0.282654 0.934341 0.876914 La\n0.717346 0.065659 0.123086 La\n0.840619 0.566942 0.124916 La\n0.636576 0.284249 0.813194 La\n0.777308 0.783952 0.813352 La\n0.939119 0.199712 0.974567 Si\n0.451433 0.301309 0.025868 Si\n0.548567 0.698691 0.974132 Si\n0.060881 0.800288 0.025433 Si\n0.002268 0.056165 0.334913 I\n0.345047 0.437587 0.661982 I\n0.513705 0.090360 0.349965 I\n0.654953 0.562413 0.338018 I\n0.850334 0.411020 0.649445 I\n0.997732 0.943835 0.665087 I\n0.486295 0.909640 0.650035 I\n0.149666 0.588980 0.350555 I\n0.213288 0.926088 0.093577 O\n0.383608 0.245952 0.884419 O\n0.062908 0.744434 0.883938 O\n0.937092 0.255566 0.116062 O\n0.668448 0.573450 0.905054 O\n0.882036 0.857620 0.036599 O\n0.117964 0.142380 0.963401 O\n0.910763 0.361086 0.929626 O\n0.556756 0.861001 0.930100 O\n0.786712 0.073912 0.906423 O\n0.616392 0.754048 0.115581 O\n0.364305 0.641090 0.962174 O\n0.331552 0.426550 0.094946 O\n0.635695 0.358910 0.037826 O\n0.089237 0.638914 0.070374 O\n0.443244 0.138999 0.069900 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
"La",
"Si",
"I",
"O"
],
"chemical_system": "I-La-O-Si",
"density": 4.866890911394404,
"density_atomic": 0.042292874611404525,
"volume": 851.2072147087487,
"volume_molar": 14.239137952510076,
"formula_full": "La8 Si4 I8 O16",
"formula_reduced": "La2Si(IO2)2",
"formula_anonymous": "AB2C2D4",
"energy": -266.86839917,
"energy_per_atom": -7.413011088055555,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -252.84439917,
"band_gap": 2.9915000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003739,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:31.419000Z",
"spacegroup": 2
}
]
}