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"volume_molar": 5.981760882401605,
"formula_full": "Mn5 Fe3 O16",
"formula_reduced": "Mn5Fe3O16",
"formula_anonymous": "A3B5C16",
"energy_above_hull": 3.656462029454023,
"spacegroup": 8
},
{
"id": "jvasp-27504",
"created_at": "2022-09-04T14:38:18.812722Z",
"updated_at": "2022-09-04T14:38:18.812745Z",
"structure_string": "Na2 Y6 Si2 S14\n1.0\n4.966997 -8.603091 0.000000\n4.966997 8.603091 -0.000000\n0.000000 0.000000 5.734027\nNa Y Si S\n2 6 2 14\ndirect\n0.000000 0.000000 0.965141 Na\n0.000000 0.000000 0.465140 Na\n0.362176 0.231227 0.245848 Y\n0.231227 0.869051 0.745849 Y\n0.869051 0.637824 0.245848 Y\n0.768773 0.130949 0.245848 Y\n0.130949 0.362176 0.745849 Y\n0.637824 0.768773 0.745849 Y\n0.333333 0.666667 0.331361 Si\n0.666667 0.333333 0.831361 Si\n0.477795 0.893075 0.483122 S\n0.893075 0.415281 0.983122 S\n0.584719 0.477795 0.983122 S\n0.522206 0.106926 0.983122 S\n0.333333 0.666667 0.961629 S\n0.666667 0.333333 0.461629 S\n0.834541 0.096879 0.712521 S\n0.106926 0.584719 0.483122 S\n0.737663 0.834542 0.212521 S\n0.096879 0.262338 0.212521 S\n0.415281 0.522206 0.483122 S\n0.262338 0.165459 0.712521 S\n0.903121 0.737663 0.712521 S\n0.165459 0.903121 0.212521 S\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Na",
"Y",
"Si",
"S"
],
"chemical_system": "Na-S-Si-Y",
"density": 3.6748427808212503,
"density_atomic": 0.048974848143805774,
"volume": 490.0474612913213,
"volume_molar": 12.296394962404118,
"formula_full": "Na2 Y6 Si2 S14",
"formula_reduced": "NaY3SiS7",
"formula_anonymous": "ABC3D7",
"energy_above_hull": 2.3354528291666665,
"spacegroup": 173
}
]
}