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"structure_string": "Sr4 Ge2 S8\n1.0\n0.000000 6.743238 0.007358\n6.682849 0.000000 0.000000\n0.000000 -2.545574 -7.814259\nSr Ge S\n4 2 8\ndirect\n0.764943 0.750000 0.566569 Sr\n0.235058 0.250000 0.433431 Sr\n0.723675 0.750000 0.054799 Sr\n0.276325 0.250000 0.945200 Sr\n0.273861 0.750000 0.199354 Ge\n0.726140 0.250000 0.800645 Ge\n0.503666 0.505970 0.740385 S\n0.496335 0.005970 0.259615 S\n0.496335 0.494030 0.259615 S\n0.503666 0.994030 0.740385 S\n0.082001 0.750000 0.377654 S\n0.918000 0.250000 0.622346 S\n0.903500 0.250000 0.079558 S\n0.096500 0.750000 0.920442 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Sr",
"Ge",
"S"
],
"chemical_system": "Ge-S-Sr",
"density": 3.5486655991090625,
"density_atomic": 0.039770815730240876,
"volume": 352.01691851029096,
"volume_molar": 15.142110236931584,
"formula_full": "Sr4 Ge2 S8",
"formula_reduced": "Sr2GeS4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.9611597957142858,
"spacegroup": 11
},
{
"id": "jvasp-9612",
"created_at": "2022-09-04T14:38:08.788523Z",
"updated_at": "2022-09-04T14:38:08.788553Z",
"structure_string": "Li8 Ge2 O8\n1.0\n5.353182 -0.027324 0.000000\n-0.316625 5.343880 -0.000000\n-0.000000 -0.000000 6.087015\nLi Ge O\n8 2 8\ndirect\n0.124128 0.418655 0.749999 Li\n0.875873 0.581345 0.250000 Li\n0.160950 0.839051 0.000000 Li\n0.839051 0.160950 0.500000 Li\n0.839051 0.160950 0.000000 Li\n0.160950 0.839051 0.500000 Li\n0.581345 0.875873 0.250000 Li\n0.418655 0.124128 0.749999 Li\n0.340688 0.340688 0.250000 Ge\n0.659313 0.659313 0.749999 Ge\n0.731957 0.337803 0.749999 O\n0.203966 0.203966 0.004559 O\n0.796035 0.796035 0.504559 O\n0.203966 0.203966 0.495441 O\n0.796035 0.796035 0.995440 O\n0.662198 0.268043 0.250000 O\n0.337803 0.731957 0.749999 O\n0.268043 0.662198 0.250000 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
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"Ge",
"O"
],
"chemical_system": "Ge-Li-O",
"density": 3.1364864605957568,
"density_atomic": 0.1034024405338046,
"volume": 174.0771291961469,
"volume_molar": 5.8239831950883465,
"formula_full": "Li8 Ge2 O8",
"formula_reduced": "Li4GeO4",
"formula_anonymous": "AB4C4",
"energy_above_hull": 1.4970099944444444,
"spacegroup": 63
}
]
}