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0.351702 Ir\n0.148298 0.148298 0.148298 Ir\n0.546499 0.953501 0.250000 S\n0.953501 0.250000 0.546499 S\n0.250000 0.546499 0.953501 S\n0.750000 0.453501 0.046499 S\n0.046499 0.750000 0.453501 S\n0.453501 0.046499 0.750000 S\n","nsites":10,"nelements":2,"elements":["Ir","S"],"chemical_system":"Ir-S","density":9.571727886251459,"density_atomic":0.059965475103815516,"volume":166.76262437156467,"volume_molar":10.04267997472569,"formula_full":"Ir4 S6","formula_reduced":"Ir2S3","formula_anonymous":"A2B3","energy":-66.84619305999999,"energy_per_atom":-6.684619305999999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-63.82819306,"band_gap":1.1376999999999995,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001693,"is_theoretical":true,"updated_at":"2021-11-28T01:34:26.566000Z","spacegroup":167},{"id":"mp-779650","created_at":"2022-09-04T14:39:10.446828Z","structure_string":"Na40 Cu8 O32\n1.0\n5.987340 0.000000 0.000000\n0.000000 10.485817 0.000000\n0.000000 0.000000 17.963219\nNa Cu O\n40 8 32\ndirect\n0.924379 0.935856 0.434140 Na\n0.575621 0.935856 0.934140 Na\n0.397264 0.920906 0.751517 Na\n0.102736 0.920906 0.251517 Na\n0.085471 0.842414 0.001630 Na\n0.414529 0.842414 0.501630 Na\n0.898292 0.829129 0.828765 Na\n0.601708 0.829129 0.328765 Na\n0.421527 0.796007 0.138415 Na\n0.078473 0.796007 0.638415 Na\n0.921527 0.703993 0.138415 Na\n0.578473 0.703993 0.638415 Na\n0.398292 0.670871 0.828765 Na\n0.101708 0.670871 0.328765 Na\n0.585471 0.657586 0.001630 Na\n0.914529 0.657586 0.501630 Na\n0.602736 0.579094 0.251517 Na\n0.897264 0.579094 0.751517 Na\n0.075621 0.564144 0.934140 Na\n0.424379 0.564144 0.434140 Na\n0.924379 0.435856 0.065860 Na\n0.575621 0.435856 0.565860 Na\n0.102736 0.420906 0.248483 Na\n0.397264 0.420906 0.748483 Na\n0.414529 0.342414 0.998370 Na\n0.085471 0.342414 0.498370 Na\n0.601708 0.329129 0.171235 Na\n0.898292 0.329129 0.671235 Na\n0.421527 0.296007 0.361585 Na\n0.078473 0.296007 0.861585 Na\n0.921527 0.203993 0.361585 Na\n0.578473 0.203993 0.861585 Na\n0.398292 0.170871 0.671235 Na\n0.101708 0.170871 0.171235 Na\n0.585471 0.157586 0.498370 Na\n0.914529 0.157586 0.998370 Na\n0.897264 0.079094 0.748483 Na\n0.602736 0.079094 0.248483 Na\n0.075621 0.064144 0.565860 Na\n0.424379 0.064144 0.065860 Na\n0.822624 0.961356 0.122569 Cu\n0.677376 0.961356 0.622569 Cu\n0.322624 0.538644 0.122569 Cu\n0.177376 0.538644 0.622569 Cu\n0.822624 0.461356 0.377431 Cu\n0.677376 0.461356 0.877431 Cu\n0.322624 0.038644 0.377431 Cu\n0.177376 0.038644 0.877431 Cu\n0.141868 0.957841 0.121232 O\n0.358132 0.957841 0.621232 O\n0.731595 0.868804 0.211140 O\n0.768405 0.868804 0.711140 O\n0.688855 0.861459 0.046037 O\n0.811145 0.861459 0.546037 O\n0.242844 0.859492 0.374756 O\n0.257156 0.859492 0.874756 O\n0.742844 0.640508 0.374756 O\n0.757156 0.640508 0.874756 O\n0.188855 0.638541 0.046037 O\n0.311145 0.638541 0.546037 O\n0.268405 0.631196 0.711140 O\n0.231595 0.631196 0.211140 O\n0.641868 0.542159 0.121232 O\n0.858132 0.542159 0.621232 O\n0.141868 0.457841 0.378768 O\n0.358132 0.457841 0.878768 O\n0.768405 0.368804 0.788860 O\n0.731595 0.368804 0.288860 O\n0.811145 0.361459 0.953963 O\n0.688855 0.361459 0.453963 O\n0.242844 0.359492 0.125244 O\n0.257156 0.359492 0.625244 O\n0.757156 0.140508 0.625244 O\n0.742844 0.140508 0.125244 O\n0.188855 0.138541 0.453963 O\n0.311145 0.138541 0.953963 O\n0.268405 0.131196 0.788860 O\n0.231595 0.131196 0.288860 O\n0.641868 0.042159 0.378768 O\n0.858132 0.042159 0.878768 O\n","nsites":80,"nelements":3,"elements":["Na","Cu","O"],"chemical_system":"Cu-Na-O","density":2.856386289147745,"density_atomic":0.07093647888623994,"volume":1127.76953770563,"volume_molar":8.48948362612929,"formula_full":"Na40 Cu8 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