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"created_at": "2022-09-04T14:45:29.848527Z",
"structure_string": "Ag4 S8 O24 F8\n1.0\n8.044125 0.000000 0.000000\n0.000000 9.275964 0.000000\n0.000000 4.270391 9.714500\nAg S O F\n4 8 24 8\ndirect\n0.500000 0.000000 0.000000 Ag\n0.000000 0.500000 0.000000 Ag\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.500000 Ag\n0.282265 0.670405 0.142521 S\n0.782265 0.829595 0.857479 S\n0.717735 0.329595 0.857479 S\n0.217735 0.170405 0.142521 S\n0.233124 0.207038 0.653946 S\n0.733124 0.292962 0.346054 S\n0.766876 0.792962 0.346054 S\n0.266876 0.707038 0.653946 S\n0.297069 0.826758 0.028653 O\n0.797069 0.673242 0.971347 O\n0.702931 0.173242 0.971347 O\n0.202931 0.326758 0.028653 O\n0.123951 0.594993 0.137182 O\n0.623951 0.905007 0.862818 O\n0.876049 0.405007 0.862818 O\n0.376049 0.094993 0.137182 O\n0.325419 0.661547 0.277091 O\n0.825419 0.838453 0.722909 O\n0.674581 0.338453 0.722909 O\n0.174581 0.161547 0.277091 O\n0.334301 0.300128 0.532018 O\n0.834301 0.199872 0.467982 O\n0.665699 0.699872 0.467982 O\n0.165699 0.800128 0.532018 O\n0.169174 0.064461 0.643607 O\n0.669174 0.435539 0.356393 O\n0.830826 0.935539 0.356393 O\n0.330826 0.564461 0.643607 O\n0.301475 0.184245 0.785631 O\n0.801475 0.315755 0.214369 O\n0.698525 0.815755 0.214369 O\n0.198525 0.684245 0.785631 O\n0.417309 0.566445 0.107607 F\n0.917309 0.933555 0.892393 F\n0.582691 0.433555 0.892393 F\n0.082691 0.066445 0.107607 F\n0.071976 0.312498 0.637110 F\n0.571976 0.187502 0.362890 F\n0.928024 0.687502 0.362890 F\n0.428024 0.812498 0.637110 F\n",
"nsites": 44,
"nelements": 4,
"elements": [
"Ag",
"S",
"O",
"F"
],
"chemical_system": "Ag-F-O-S",
"density": 2.80388373171141,
"density_atomic": 0.06070079216500166,
"volume": 724.8669816432666,
"volume_molar": 9.921024990300202,
"formula_full": "Ag4 S8 O24 F8",
"formula_reduced": "AgS2(O3F)2",
"formula_anonymous": "AB2C2D6",
"energy": -252.17217903,
"energy_per_atom": -5.731185887045455,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -231.98817903,
"band_gap": 0.1877999999999999,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 4.0024103,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:01.936000Z",
"spacegroup": 14
}
]
}