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{
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{
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{
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"structure_string": "Cr32 O48\n1.0\n9.952483 -0.049835 -0.827094\n-0.081074 9.875496 0.320394\n-0.826563 0.321757 9.717287\nCr O\n32 48\ndirect\n0.895860 0.699383 0.601375 Cr\n0.680254 0.472294 0.455255 Cr\n0.133149 0.300938 0.864487 Cr\n0.311745 0.952415 0.349559 Cr\n0.399743 0.427939 0.133351 Cr\n0.797742 0.993913 0.208704 Cr\n0.287272 0.780129 0.712817 Cr\n0.288950 0.462063 0.653640 Cr\n0.321210 0.580250 0.410259 Cr\n0.592987 0.791018 0.996584 Cr\n0.861640 0.458989 0.800890 Cr\n0.969228 0.336674 0.138510 Cr\n0.689186 0.896812 0.443671 Cr\n0.511936 0.736966 0.271427 Cr\n0.112943 0.985975 0.818490 Cr\n0.586136 0.264251 0.726815 Cr\n0.606035 0.951591 0.728476 Cr\n0.891276 0.777495 0.953267 Cr\n0.069766 0.920745 0.504336 Cr\n0.118855 0.598815 0.921271 Cr\n0.253981 0.776098 0.087514 Cr\n0.983185 0.439374 0.475102 Cr\n0.085534 0.061743 0.133743 Cr\n0.674079 0.292806 0.041384 Cr\n0.855981 0.053758 0.913025 Cr\n0.557582 0.637470 0.652203 Cr\n0.758486 0.599888 0.193704 Cr\n0.299374 0.110304 0.622098 Cr\n0.397570 0.143844 0.005272 Cr\n0.211976 0.266058 0.354994 Cr\n0.877644 0.185594 0.598866 Cr\n0.554098 0.191724 0.375341 Cr\n0.191921 0.482598 0.787885 O\n0.488278 0.097698 0.661556 O\n0.935679 0.914053 0.815982 O\n0.046586 0.126695 0.925655 O\n0.736908 0.656971 0.999496 O\n0.056940 0.069837 0.624420 O\n0.205544 0.799951 0.879118 O\n0.694418 0.797655 0.216567 O\n0.279902 0.921340 0.559138 O\n0.275105 0.107266 0.822835 O\n0.573135 0.542626 0.220771 O\n0.246491 0.292221 0.576360 O\n0.523621 0.246116 0.169083 O\n0.116620 0.033094 0.339818 O\n0.034777 0.356606 0.326904 O\n0.937897 0.646127 0.802719 O\n0.311701 0.315211 0.987696 O\n0.307979 0.745909 0.294715 O\n0.444839 0.813520 0.084685 O\n0.473726 0.441152 0.708338 O\n0.817245 0.327934 0.462913 O\n0.834346 0.172197 0.081688 O\n0.162460 0.526478 0.492501 O\n0.717890 0.362476 0.861875 O\n0.881583 0.859422 0.468025 O\n0.329431 0.419380 0.309804 O\n0.089638 0.758466 0.619060 O\n0.357216 0.653166 0.604683 O\n0.016560 0.417526 0.957583 O\n0.533101 0.612535 0.451162 O\n0.675238 0.811693 0.624311 O\n0.748046 0.123982 0.723359 O\n0.740644 0.545944 0.639673 O\n0.262290 0.986117 0.131741 O\n0.502644 0.907115 0.360827 O\n0.056352 0.697599 0.062739 O\n0.491278 0.794129 0.796781 O\n0.553045 0.179272 0.918611 O\n0.927308 0.931586 0.085993 O\n0.147003 0.241649 0.160551 O\n0.798370 0.418219 0.151958 O\n0.849778 0.585218 0.410917 O\n0.290624 0.583417 0.051523 O\n0.715453 0.077683 0.372868 O\n0.714186 0.910127 0.908147 O\n0.576861 0.315275 0.517499 O\n0.967701 0.334624 0.703817 O\n0.364661 0.137820 0.402730 O\n",
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"id": "mp-13909",
"created_at": "2022-09-04T14:45:24.219805Z",
"structure_string": "K8 Sn46\n1.0\n12.654073 0.000000 0.000000\n0.000000 12.654073 0.000000\n0.000000 0.000000 12.654073\nK Sn\n8 46\ndirect\n0.000000 0.250000 0.500000 K\n0.000000 0.750000 0.500000 K\n0.500000 0.000000 0.750000 K\n0.500000 0.000000 0.250000 K\n0.750000 0.500000 0.000000 K\n0.250000 0.500000 0.000000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 K\n0.683766 0.683766 0.316234 Sn\n0.316234 0.683766 0.683766 Sn\n0.816234 0.816234 0.183766 Sn\n0.183766 0.816234 0.816234 Sn\n0.816234 0.183766 0.816234 Sn\n0.316234 0.316234 0.316234 Sn\n0.816234 0.816234 0.816234 Sn\n0.316234 0.683766 0.316234 Sn\n0.316234 0.316234 0.683766 Sn\n0.683766 0.316234 0.316234 Sn\n0.183766 0.183766 0.816234 Sn\n0.816234 0.183766 0.183766 Sn\n0.183766 0.816234 0.183766 Sn\n0.683766 0.683766 0.683766 Sn\n0.000000 0.307870 0.117585 Sn\n0.500000 0.382415 0.807870 Sn\n0.500000 0.617585 0.192130 Sn\n0.617585 0.807870 0.500000 Sn\n0.382415 0.807870 0.500000 Sn\n0.192130 0.500000 0.617585 Sn\n0.807870 0.500000 0.617585 Sn\n0.117585 0.000000 0.307870 Sn\n0.307870 0.117585 0.000000 Sn\n0.692130 0.882415 0.000000 Sn\n0.117585 0.000000 0.692130 Sn\n0.692130 0.117585 0.000000 Sn\n0.882415 0.000000 0.307870 Sn\n0.882415 0.000000 0.692130 Sn\n0.307870 0.882415 0.000000 Sn\n0.000000 0.692130 0.882415 Sn\n0.000000 0.307870 0.882415 Sn\n0.000000 0.692130 0.117585 Sn\n0.807870 0.500000 0.382415 Sn\n0.192130 0.500000 0.382415 Sn\n0.617585 0.192130 0.500000 Sn\n0.382415 0.192130 0.500000 Sn\n0.500000 0.617585 0.807870 Sn\n0.500000 0.382415 0.192130 Sn\n0.683766 0.316234 0.683766 Sn\n0.183766 0.183766 0.183766 Sn\n0.500000 0.250000 0.000000 Sn\n0.500000 0.750000 0.000000 Sn\n0.000000 0.500000 0.750000 Sn\n0.000000 0.500000 0.250000 Sn\n0.750000 0.000000 0.500000 Sn\n0.250000 0.000000 0.500000 Sn\n",
"nsites": 54,
"nelements": 2,
"elements": [
"K",
"Sn"
],
"chemical_system": "K-Sn",
"density": 4.73143882327974,
"density_atomic": 0.026650339950366,
"volume": 2026.2405695601042,
"volume_molar": 22.596862821321334,
"formula_full": "K8 Sn46",
"formula_reduced": "K4Sn23",
"formula_anonymous": "A4B23",
"energy": -199.83113493,
"energy_per_atom": -3.7005765727777775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -199.83113493,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0037468,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:01.126000Z",
"spacegroup": 223
}
]
}