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{
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{
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{
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"id": "mp-651279",
"created_at": "2022-09-04T14:45:54.117341Z",
"structure_string": "Co8 Si2 C28 O28\n1.0\n6.295085 6.843061 0.000000\n-6.295085 6.843061 0.000000\n0.000000 2.323865 12.194487\nCo Si C O\n8 2 28 28\ndirect\n0.958475 0.271166 0.837562 Co\n0.728834 0.041525 0.662438 Co\n0.693326 0.314593 0.918453 Co\n0.271166 0.958475 0.337562 Co\n0.314593 0.693326 0.418453 Co\n0.041525 0.728834 0.162438 Co\n0.306674 0.685407 0.081547 Co\n0.685407 0.306674 0.581547 Co\n0.760838 0.239162 0.750000 Si\n0.239162 0.760838 0.250000 Si\n0.506024 0.340283 0.650004 C\n0.924306 0.860654 0.224582 C\n0.226833 0.530293 0.444895 C\n0.075694 0.139346 0.775418 C\n0.834678 0.149709 0.941654 C\n0.139346 0.075694 0.275418 C\n0.052785 0.310517 0.944790 C\n0.659717 0.493976 0.849996 C\n0.947215 0.689483 0.055210 C\n0.362870 0.713047 0.549570 C\n0.469707 0.773167 0.055105 C\n0.997073 0.436981 0.750422 C\n0.530293 0.226833 0.944895 C\n0.165322 0.850291 0.058346 C\n0.860654 0.924306 0.724582 C\n0.436981 0.997073 0.250422 C\n0.340283 0.506024 0.150004 C\n0.637130 0.286953 0.450430 C\n0.002927 0.563019 0.249578 C\n0.563019 0.002927 0.749578 C\n0.493976 0.659717 0.349996 C\n0.773167 0.469707 0.555105 C\n0.310517 0.052785 0.444790 C\n0.286953 0.637130 0.950430 C\n0.850291 0.165322 0.558346 C\n0.713047 0.362870 0.049570 C\n0.149709 0.834678 0.441654 C\n0.689483 0.947215 0.555210 C\n0.159878 0.058756 0.734131 O\n0.457486 0.967939 0.803861 O\n0.337205 0.112507 0.514419 O\n0.965895 0.163256 0.505306 O\n0.112507 0.337205 0.014419 O\n0.840122 0.941244 0.265869 O\n0.822440 0.581914 0.532686 O\n0.581914 0.822440 0.032686 O\n0.836744 0.034105 0.994694 O\n0.389178 0.360517 0.693827 O\n0.058756 0.159878 0.234131 O\n0.610822 0.639483 0.306173 O\n0.418086 0.177560 0.967314 O\n0.606840 0.272616 0.365625 O\n0.272616 0.606840 0.865625 O\n0.032061 0.542514 0.696139 O\n0.393160 0.727384 0.634375 O\n0.887493 0.662795 0.985581 O\n0.360517 0.389178 0.193827 O\n0.034105 0.836744 0.494694 O\n0.662795 0.887493 0.485581 O\n0.941244 0.840122 0.765869 O\n0.727384 0.393160 0.134375 O\n0.967939 0.457486 0.303861 O\n0.542514 0.032061 0.196139 O\n0.163256 0.965895 0.005306 O\n0.177560 0.418086 0.467314 O\n0.639483 0.610822 0.806173 O\n",
"nsites": 66,
"nelements": 4,
"elements": [
"Co",
"Si",
"C",
"O"
],
"chemical_system": "C-Co-O-Si",
"density": 2.0735317886719313,
"density_atomic": 0.06282006694360594,
"volume": 1050.6197018103899,
"volume_molar": 9.586332923532417,
"formula_full": "Co8 Si2 C28 O28",
"formula_reduced": "Co4Si(CO)14",
"formula_anonymous": "AB4C14D14",
"energy": -515.49917465,
"energy_per_atom": -7.81059355530303,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -483.30117465,
"band_gap": 2.5423,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0026469,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:11.881000Z",
"spacegroup": 15
}
]
}