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{
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"id": "mp-1197550",
"created_at": "2022-09-04T14:46:35.445072Z",
"structure_string": "Mg8 S8 O52\n1.0\n5.599603 9.326517 0.000000\n-5.599603 9.326517 0.000000\n0.000000 0.689244 10.574220\nMg S O\n8 8 52\ndirect\n0.269445 0.029483 0.049679 Mg\n0.970517 0.730555 0.450321 Mg\n0.730555 0.970517 0.950321 Mg\n0.029483 0.269445 0.549679 Mg\n0.719272 0.454621 0.888075 Mg\n0.545379 0.280728 0.611925 Mg\n0.280728 0.545379 0.111925 Mg\n0.454621 0.719272 0.388075 Mg\n0.065440 0.285210 0.856604 S\n0.714790 0.934560 0.643396 S\n0.934560 0.714790 0.143396 S\n0.285210 0.065440 0.356604 S\n0.528301 0.298730 0.929435 S\n0.701270 0.471699 0.570565 S\n0.471699 0.701270 0.070565 S\n0.298730 0.528301 0.429435 S\n0.155810 0.147536 0.921766 O\n0.852464 0.844190 0.578234 O\n0.844190 0.852464 0.078234 O\n0.147536 0.155810 0.421766 O\n0.066887 0.250698 0.721576 O\n0.749302 0.933113 0.778424 O\n0.933113 0.749302 0.278424 O\n0.250698 0.066887 0.221576 O\n0.117674 0.383483 0.869031 O\n0.616517 0.882326 0.630969 O\n0.882326 0.616517 0.130969 O\n0.383483 0.117674 0.369031 O\n0.920217 0.333171 0.909202 O\n0.666829 0.079783 0.590798 O\n0.079783 0.666829 0.090798 O\n0.333171 0.920217 0.409202 O\n0.568584 0.149456 0.962508 O\n0.850544 0.431416 0.537492 O\n0.431416 0.850544 0.037492 O\n0.149456 0.568584 0.462508 O\n0.646824 0.324410 0.956672 O\n0.675590 0.353175 0.543328 O\n0.353175 0.675590 0.043328 O\n0.324410 0.646824 0.456672 O\n0.403158 0.383417 0.007843 O\n0.616583 0.596842 0.492157 O\n0.596842 0.616583 0.992157 O\n0.383417 0.403158 0.507843 O\n0.498318 0.328975 0.793184 O\n0.671025 0.501682 0.706816 O\n0.501682 0.671025 0.206816 O\n0.328975 0.498318 0.293184 O\n0.960285 0.013218 0.956384 O\n0.986782 0.039715 0.543616 O\n0.039715 0.986782 0.043616 O\n0.013218 0.960285 0.456384 O\n0.350017 0.872399 0.776221 O\n0.127601 0.649983 0.723779 O\n0.649983 0.127601 0.223779 O\n0.872399 0.350017 0.276221 O\n0.337277 0.110646 0.638584 O\n0.889354 0.662723 0.861416 O\n0.662723 0.889354 0.361416 O\n0.110646 0.337277 0.138584 O\n0.840380 0.612792 0.790077 O\n0.387208 0.159620 0.709923 O\n0.159620 0.387208 0.209923 O\n0.612792 0.840380 0.290077 O\n0.810014 0.346788 0.184325 O\n0.653212 0.189986 0.315675 O\n0.189986 0.653212 0.815675 O\n0.346788 0.810014 0.684325 O\n",
"nsites": 68,
"nelements": 3,
"elements": [
"Mg",
"S",
"O"
],
"chemical_system": "Mg-O-S",
"density": 1.9288417190130553,
"density_atomic": 0.061567830661969546,
"volume": 1104.4728922372703,
"volume_molar": 9.781310621554635,
"formula_full": "Mg8 S8 O52",
"formula_reduced": "Mg2S2O13",
"formula_anonymous": "A2B2C13",
"energy": -397.89868133,
"energy_per_atom": -5.851451196029411,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -389.52668133,
"band_gap": 0.7515000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 19.9997378,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:42.215000Z",
"spacegroup": 15
}
]
}