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"id": "mp-1205125",
"created_at": "2022-09-04T14:48:04.766707Z",
"structure_string": "Cs4 La4 S8 O48\n1.0\n20.295757 0.000000 0.000000\n0.000000 6.525415 0.000000\n0.000000 0.341959 8.887092\nCs La S O\n4 4 8 48\ndirect\n0.709135 0.864509 0.632187 Cs\n0.209135 0.135491 0.867813 Cs\n0.290865 0.135491 0.367813 Cs\n0.790865 0.864509 0.132187 Cs\n0.364606 0.616717 0.711940 La\n0.864606 0.383283 0.788060 La\n0.635394 0.383283 0.288060 La\n0.135394 0.616717 0.211940 La\n0.930420 0.818000 0.790675 S\n0.430420 0.182000 0.709325 S\n0.069580 0.182000 0.209325 S\n0.569580 0.818000 0.290675 S\n0.215569 0.619374 0.605977 S\n0.715569 0.380626 0.894023 S\n0.784431 0.380626 0.394023 S\n0.284431 0.619374 0.105977 S\n0.394765 0.980359 0.684514 O\n0.894765 0.019641 0.815486 O\n0.605235 0.019641 0.315486 O\n0.105235 0.980359 0.184514 O\n0.000318 0.851424 0.767812 O\n0.500318 0.148576 0.732188 O\n0.999682 0.148576 0.232188 O\n0.499682 0.851424 0.267812 O\n0.896445 0.724138 0.659361 O\n0.396445 0.275862 0.840639 O\n0.103555 0.275862 0.340639 O\n0.603555 0.724138 0.159361 O\n0.916400 0.673411 0.923123 O\n0.416400 0.326589 0.576877 O\n0.083600 0.326589 0.076877 O\n0.583600 0.673411 0.423123 O\n0.257493 0.805669 0.632466 O\n0.757493 0.194331 0.867534 O\n0.742507 0.194331 0.367534 O\n0.242507 0.805669 0.132466 O\n0.310455 0.636412 0.948640 O\n0.810455 0.363588 0.551360 O\n0.689545 0.363588 0.051360 O\n0.189545 0.636412 0.448640 O\n0.162939 0.591386 0.715645 O\n0.662939 0.408614 0.784355 O\n0.837061 0.408614 0.284355 O\n0.337061 0.591386 0.215645 O\n0.764306 0.557873 0.883196 O\n0.264306 0.442127 0.616804 O\n0.235694 0.442127 0.116804 O\n0.735694 0.557873 0.383196 O\n0.575314 0.823761 0.837216 O\n0.075314 0.176239 0.662784 O\n0.424686 0.176239 0.162784 O\n0.924686 0.823761 0.337216 O\n0.108302 0.805994 0.964133 O\n0.608302 0.194006 0.535867 O\n0.891698 0.194006 0.035867 O\n0.391698 0.805994 0.464133 O\n0.476403 0.700809 0.876728 O\n0.976403 0.299191 0.623272 O\n0.523597 0.299191 0.123272 O\n0.023597 0.700809 0.376728 O\n0.531155 0.701205 0.798119 O\n0.031155 0.298795 0.701881 O\n0.468845 0.298795 0.201881 O\n0.968845 0.701205 0.298119 O\n",
"nsites": 64,
"nelements": 4,
"elements": [
"Cs",
"La",
"S",
"O"
],
"chemical_system": "Cs-La-O-S",
"density": 2.9793081518848687,
"density_atomic": 0.054375956132356906,
"volume": 1176.9907979956645,
"volume_molar": 11.07500665430409,
"formula_full": "Cs4 La4 S8 O48",
"formula_reduced": "CsLa(SO6)2",
"formula_anonymous": "ABC2D12",
"energy": -376.55281008,
"energy_per_atom": -5.8836376575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -376.55281008,
"band_gap": 0.4555,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.0006582,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:31.314000Z",
"spacegroup": 14
}
]
}