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0.713743 0.085491 Mg\n0.000000 0.500000 0.824100 Mg\n0.500000 0.241813 0.896577 Mg\n0.500000 0.758187 0.896577 Mg\n0.500000 0.500000 0.648065 Mg\n0.000000 0.786256 0.585491 Mg\n0.000000 0.213744 0.585491 Mg\n0.000000 0.000000 0.324100 Mg\n0.500000 0.741813 0.396577 Mg\n0.500000 0.258187 0.396577 Mg\n0.500000 0.000000 0.148065 Mg\n0.000000 0.500000 0.296225 W\n0.000000 0.000000 0.796225 W\n0.500000 0.500000 0.267473 C\n0.500000 0.000000 0.767473 C\n","nsites":16,"nelements":3,"elements":["Mg","W","C"],"chemical_system":"C-Mg-W","density":3.473397664385495,"density_atomic":0.048975056905732776,"volume":326.69691493767556,"volume_molar":12.296342547577682,"formula_full":"Mg12 W2 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0.911613 0.621920 S\n0.764202 0.088388 0.378080 S\n0.088387 0.378080 0.764202 S\n0.621920 0.235798 0.911613 S\n","nsites":15,"nelements":3,"elements":["Li","Ti","S"],"chemical_system":"Li-S-Ti","density":2.057731828864254,"density_atomic":0.0628426934633357,"volume":238.69123319406177,"volume_molar":9.582881363150829,"formula_full":"Li8 Ti1 S6","formula_reduced":"Li8TiS6","formula_anonymous":"AB6C8","energy":-70.37211071,"energy_per_atom":-4.691474047333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-67.35411071,"band_gap":1.0393,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0055855,"is_theoretical":true,"updated_at":"2021-11-28T01:37:48.806000Z","spacegroup":148}]}