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"id": "mp-559316",
"created_at": "2022-09-04T14:48:30.457334Z",
"structure_string": "Cs4 V4 S8 O32\n1.0\n4.979061 -0.000009 -0.000097\n-2.489718 4.312027 9.003273\n2.489393 -12.936693 9.003475\nCs V S O\n4 4 8 32\ndirect\n0.750001 0.249999 0.749997 Cs\n0.500001 0.500002 0.499999 Cs\n0.999999 0.000000 0.000003 Cs\n0.250001 0.750000 0.250000 Cs\n0.875057 0.625045 0.874952 V\n0.625060 0.875040 0.624961 V\n0.124954 0.374960 0.125039 V\n0.374919 0.124949 0.375052 V\n0.505779 0.850678 0.839116 S\n0.255777 0.100679 0.589123 S\n0.755771 0.600658 0.089111 S\n0.005820 0.350710 0.339081 S\n0.994214 0.649316 0.660896 S\n0.744193 0.899292 0.410893 S\n0.244206 0.399320 0.910911 S\n0.494240 0.149345 0.160868 S\n0.546428 0.972601 0.879757 O\n0.296434 0.222598 0.629756 O\n0.796441 0.722607 0.129759 O\n0.046405 0.472615 0.379751 O\n0.953571 0.527394 0.620244 O\n0.703595 0.777397 0.370244 O\n0.203575 0.277388 0.870248 O\n0.453555 0.027403 0.120240 O\n0.739889 0.703224 0.662771 O\n0.489918 0.953193 0.412773 O\n0.989900 0.453223 0.912768 O\n0.239898 0.203228 0.162761 O\n0.463958 0.884953 0.749058 O\n0.213959 0.134976 0.499069 O\n0.713977 0.634957 0.999058 O\n0.963964 0.384946 0.249058 O\n0.760093 0.796779 0.837230 O\n0.510107 0.046781 0.587235 O\n0.010106 0.546769 0.087239 O\n0.260093 0.296803 0.337220 O\n0.248562 0.755211 0.610781 O\n0.998589 0.005227 0.360781 O\n0.498564 0.505212 0.860786 O\n0.748542 0.255204 0.110780 O\n0.036038 0.615044 0.750933 O\n0.786049 0.865039 0.500937 O\n0.286012 0.365056 0.000948 O\n0.536044 0.115031 0.250941 O\n0.251440 0.744787 0.889218 O\n0.001442 0.994788 0.639223 O\n0.501455 0.494795 0.139217 O\n0.751406 0.244776 0.389214 O\n",
"nsites": 48,
"nelements": 4,
"elements": [
"Cs",
"V",
"S",
"O"
],
"chemical_system": "Cs-O-S-V",
"density": 3.2296762445932443,
"density_atomic": 0.062077677389456874,
"volume": 773.2248050915675,
"volume_molar": 9.70097628205205,
"formula_full": "Cs4 V4 S8 O32",
"formula_reduced": "CsV(SO4)2",
"formula_anonymous": "ABC2D8",
"energy": -336.58501158,
"energy_per_atom": -7.01218774125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -307.80101158,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.56e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:50.254000Z",
"spacegroup": 147
}
]
}