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{
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"id": "mp-1196601",
"created_at": "2022-09-04T14:39:10.238773Z",
"structure_string": "K4 Co2 C8 S8 N8 O6\n1.0\n0.000000 0.000000 4.534668\n11.323922 0.000000 0.000000\n0.000000 15.537444 0.000000\nK Co C S N O\n4 2 8 8 8 6\ndirect\n0.737866 0.129619 0.619397 K\n0.737866 0.870381 0.380603 K\n0.262134 0.629619 0.880603 K\n0.262134 0.370381 0.119397 K\n0.227153 0.000000 0.000000 Co\n0.772847 0.500000 0.500000 Co\n0.596207 0.914664 0.842571 C\n0.596207 0.085336 0.157429 C\n0.403793 0.414664 0.657429 C\n0.403793 0.585336 0.342571 C\n0.898738 0.765565 0.046355 C\n0.898738 0.234435 0.953645 C\n0.101262 0.265565 0.453645 C\n0.101262 0.734435 0.546355 C\n0.796547 0.842253 0.769017 S\n0.796547 0.157747 0.230983 S\n0.203453 0.342253 0.730983 S\n0.203453 0.657747 0.269017 S\n0.754026 0.637939 0.069835 S\n0.754026 0.362061 0.930165 S\n0.245974 0.137939 0.430165 S\n0.245974 0.862061 0.569835 S\n0.444520 0.955572 0.896788 N\n0.444520 0.044428 0.103212 N\n0.555480 0.455572 0.603212 N\n0.555480 0.544428 0.396788 N\n0.007732 0.856573 0.025425 N\n0.007732 0.143427 0.974575 N\n0.992267 0.356573 0.474575 N\n0.992267 0.643427 0.525425 N\n0.873188 0.500000 0.000000 O\n0.126812 0.000000 0.500000 O\n0.224177 0.208854 0.704983 O\n0.224177 0.791146 0.295017 O\n0.775823 0.708854 0.795017 O\n0.775823 0.291146 0.204983 O\n",
"nsites": 36,
"nelements": 6,
"elements": [
"K",
"Co",
"C",
"S",
"N",
"O"
],
"chemical_system": "C-Co-K-N-O-S",
"density": 1.7376788615233323,
"density_atomic": 0.04512119144962612,
"volume": 797.8512721719874,
"volume_molar": 13.346590740457719,
"formula_full": "K4 Co2 C8 S8 N8 O6",
"formula_reduced": "K2CoC4S4N4O3",
"formula_anonymous": "AB2C3D4E4F4",
"energy": -233.36181975,
"energy_per_atom": -6.482272770833333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -223.07581975,
"band_gap": 0.8958999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.999981,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:24.880000Z",
"spacegroup": 18
}
]
}