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N\n0.089075 0.965457 0.294626 N\n0.606614 0.927111 0.561030 N\n0.893386 0.427111 0.061030 N\n0.410925 0.034543 0.794626 N\n0.813653 0.033758 0.563941 N\n0.910925 0.034543 0.705374 N\n0.514071 0.372488 0.893664 N\n0.313653 0.033758 0.936059 N\n0.393386 0.427111 0.438970 N\n0.186347 0.533758 0.436059 N\n0.686347 0.966242 0.063941 N\n0.127579 0.250000 0.974541 Cl\n0.589497 0.875984 0.369601 Cl\n0.121536 0.250000 0.433399 Cl\n0.627579 0.250000 0.525459 Cl\n0.589497 0.624016 0.369601 Cl\n0.983771 0.750000 0.727090 Cl\n0.325708 0.376762 0.111944 Cl\n0.372421 0.750000 0.474541 Cl\n0.674292 0.623238 0.888056 Cl\n0.197247 0.250000 0.810735 Cl\n0.302753 0.750000 0.310735 Cl\n0.802753 0.750000 0.189265 Cl\n0.878464 0.750000 0.566601 Cl\n0.516229 0.250000 0.227090 Cl\n0.089497 0.624016 0.130399 Cl\n0.825708 0.123238 0.388056 Cl\n0.674292 0.876762 0.888056 Cl\n0.174292 0.623238 0.611944 Cl\n0.483771 0.750000 0.772910 Cl\n0.872421 0.750000 0.025459 Cl\n0.174292 0.876762 0.611944 Cl\n0.089497 0.875984 0.130399 Cl\n0.325708 0.123238 0.111944 Cl\n0.697247 0.250000 0.689265 Cl\n0.016229 0.250000 0.272910 Cl\n0.825708 0.376762 0.388056 Cl\n0.621536 0.250000 0.066601 Cl\n0.910503 0.124016 0.869601 Cl\n0.410503 0.375984 0.630399 Cl\n0.410503 0.124016 0.630399 Cl\n0.910503 0.375984 0.869601 Cl\n0.378464 0.750000 0.933399 Cl\n","nsites":120,"nelements":4,"elements":["Ga","S","N","Cl"],"chemical_system":"Cl-Ga-N-S","density":1.9137933876384012,"density_atomic":0.0391218693075318,"volume":3067.338093093047,"volume_molar":15.393284795930263,"formula_full":"Ga8 S40 N40 Cl32","formula_reduced":"GaS5N5Cl4","formula_anonymous":"AB4C5D5","energy":-619.19353684,"energy_per_atom":-5.159946140333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-585.10553684,"band_gap":2.2352,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0103372,"is_theoretical":false,"updated_at":"2021-11-28T01:35:30.312000Z","spacegroup":62},{"id":"mp-974309","created_at":"2022-09-04T14:45:37.875120Z","structure_string":"In3 Ga1\n1.0\n0.000000 3.711393 3.711393\n3.711393 0.000000 3.711393\n3.711393 3.711393 0.000000\nIn Ga\n3 1\ndirect\n0.250000 0.250000 0.250000 In\n0.750000 0.750000 0.750000 In\n0.500000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 Ga\n","nsites":4,"nelements":2,"elements":["In","Ga"],"chemical_system":"Ga-In","density":6.726578997941338,"density_atomic":0.039121830109215466,"volume":102.24470554760084,"volume_molar":15.39330021931013,"formula_full":"In3 Ga1","formula_reduced":"In3Ga","formula_anonymous":"AB3","energy":-11.09791757,"energy_per_atom":-2.7744793925,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-11.09791757,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0003755,"is_theoretical":true,"updated_at":"2021-11-28T01:37:09.504000Z","spacegroup":225}]}