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"formula_full": "Sc6 Al16 Ru7",
"formula_reduced": "Sc6Al16Ru7",
"formula_anonymous": "A6B7C16",
"energy_above_hull": 3.2631958551724143,
"spacegroup": 225
},
{
"id": "jvasp-27530",
"created_at": "2022-09-04T14:37:05.414963Z",
"updated_at": "2022-09-04T14:37:05.414984Z",
"structure_string": "Na12 Zn2 S8\n1.0\n4.461001 -7.726679 -0.000000\n4.461001 7.726679 0.000000\n0.000000 0.000000 6.875901\nNa Zn S\n12 2 8\ndirect\n0.147108 0.852892 0.538394 Na\n0.469835 0.530165 0.865703 Na\n0.530165 0.060331 0.365703 Na\n0.469835 0.939669 0.865703 Na\n0.060331 0.530165 0.865703 Na\n0.530165 0.469835 0.365703 Na\n0.939669 0.469835 0.365703 Na\n0.705784 0.852892 0.538394 Na\n0.147108 0.294216 0.538394 Na\n0.852892 0.705784 0.038394 Na\n0.294216 0.147108 0.038394 Na\n0.852892 0.147108 0.038394 Na\n0.666667 0.333333 0.748863 Zn\n0.333333 0.666667 0.248863 Zn\n0.812880 0.625762 0.640835 S\n0.812880 0.187120 0.640835 S\n0.625762 0.812880 0.140835 S\n0.333333 0.666667 0.595839 S\n0.666667 0.333333 0.095839 S\n0.187120 0.812880 0.140835 S\n0.374238 0.187120 0.640835 S\n0.187120 0.374238 0.140835 S\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Na",
"Zn",
"S"
],
"chemical_system": "Na-S-Zn",
"density": 2.323372195261437,
"density_atomic": 0.04641281175423571,
"volume": 474.00705039147397,
"volume_molar": 12.97516899404486,
"formula_full": "Na12 Zn2 S8",
"formula_reduced": "Na6ZnS4",
"formula_anonymous": "AB4C6",
"energy_above_hull": 0.1089923636363638,
"spacegroup": 186
}
]
}