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"created_at": "2022-09-04T14:41:59.645630Z",
"structure_string": "K10 H6 S8 O36\n1.0\n-8.546342 0.000000 2.276366\n-0.003008 0.000000 -9.998131\n0.000000 -10.809601 0.000000\nK H S O\n10 6 8 36\ndirect\n0.737758 0.262272 0.874216 K\n0.762242 0.737728 0.374216 K\n0.254712 0.737065 0.124811 K\n0.245288 0.262935 0.624811 K\n0.495162 0.997783 0.501412 K\n0.004838 0.002217 0.001412 K\n0.045253 0.687925 0.729410 K\n0.454747 0.312075 0.229410 K\n0.964972 0.314129 0.272241 K\n0.535028 0.685871 0.772241 K\n0.874559 0.213523 0.591915 H\n0.625441 0.786477 0.091915 H\n0.125467 0.788698 0.405186 H\n0.374533 0.211302 0.905186 H\n0.497431 0.005023 0.016710 H\n0.002569 0.994977 0.516710 H\n0.344142 0.956865 0.830053 S\n0.155858 0.043135 0.330053 S\n0.661357 0.044624 0.176036 S\n0.838643 0.955376 0.676036 S\n0.701947 0.422336 0.547430 S\n0.798053 0.577664 0.047430 S\n0.298215 0.578691 0.452699 S\n0.201785 0.421309 0.952699 S\n0.500878 0.975949 0.895384 O\n0.999122 0.024051 0.395384 O\n0.496159 0.028945 0.116490 O\n0.003841 0.971055 0.616490 O\n0.875294 0.406953 0.601455 O\n0.624706 0.593047 0.101455 O\n0.125451 0.594722 0.398739 O\n0.374549 0.405278 0.898739 O\n0.320397 0.097555 0.804983 O\n0.179603 0.902445 0.304983 O\n0.679563 0.902478 0.196422 O\n0.820437 0.097522 0.696422 O\n0.922006 0.295294 0.536061 O\n0.577994 0.704706 0.036061 O\n0.079678 0.707241 0.463379 O\n0.420322 0.292759 0.963379 O\n0.700170 0.549240 0.613912 O\n0.799830 0.450760 0.113912 O\n0.298943 0.451505 0.386240 O\n0.201057 0.548495 0.886240 O\n0.349845 0.882082 0.713394 O\n0.150155 0.117918 0.213394 O\n0.658175 0.118737 0.292217 O\n0.841825 0.881263 0.792217 O\n0.716612 0.437693 0.413451 O\n0.783388 0.562307 0.913451 O\n0.283358 0.562937 0.586714 O\n0.216642 0.437063 0.086714 O\n0.218921 0.877823 0.912800 O\n0.281079 0.122177 0.412800 O\n0.778605 0.121813 0.087655 O\n0.721395 0.878187 0.587655 O\n0.586330 0.297881 0.588869 O\n0.913670 0.702119 0.088869 O\n0.414866 0.702569 0.411716 O\n0.085134 0.297431 0.911716 O\n",
"nsites": 60,
"nelements": 4,
"elements": [
"K",
"H",
"S",
"O"
],
"chemical_system": "H-K-O-S",
"density": 2.210264930507057,
"density_atomic": 0.06495426834166497,
"volume": 923.7268239924573,
"volume_molar": 9.271354929783872,
"formula_full": "K10 H6 S8 O36",
"formula_reduced": "K5H3(S2O9)2",
"formula_anonymous": "A3B4C5D18",
"energy": -356.17635901000006,
"energy_per_atom": -5.936272650166668,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -331.44435901,
"band_gap": 4.358499999999999,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.001715,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:32.484000Z",
"spacegroup": 4
}
]
}