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"created_at": "2022-09-04T14:36:16.944531Z",
"updated_at": "2022-09-04T14:36:16.944558Z",
"structure_string": "Ti8 Sn12\n1.0\n5.743740 -0.000027 -1.713446\n0.000060 7.047057 0.000127\n0.000070 0.000169 10.483863\nTi Sn\n8 12\ndirect\n0.081397 0.454264 0.161621 Ti\n0.587235 0.250368 0.673317 Ti\n0.913857 0.750340 0.326431 Ti\n0.413873 0.750386 0.326437 Ti\n0.581394 0.046472 0.161614 Ti\n0.087240 0.250370 0.673324 Ti\n0.919687 0.546473 0.838136 Ti\n0.419684 0.954265 0.838144 Ti\n0.270693 0.750340 0.040127 Sn\n0.776230 0.572931 0.551257 Sn\n0.730366 0.250411 0.959624 Sn\n0.379287 0.574368 0.757421 Sn\n0.121785 0.074359 0.242330 Sn\n0.879299 0.926386 0.757426 Sn\n0.276219 0.927783 0.551247 Sn\n0.724886 0.072922 0.448505 Sn\n0.230381 0.250355 0.959630 Sn\n0.224885 0.427791 0.448507 Sn\n0.770688 0.750391 0.040124 Sn\n0.621790 0.426367 0.242343 Sn\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Ti",
"Sn"
],
"chemical_system": "Sn-Ti",
"density": 7.072811315361236,
"density_atomic": 0.04713084614479745,
"volume": 424.35053974110974,
"volume_molar": 12.777493409514683,
"formula_full": "Ti8 Sn12",
"formula_reduced": "Ti2Sn3",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.836508353333334,
"spacegroup": 64
}
]
}