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S\n0.159186 0.961119 0.842775 I\n0.659186 0.538881 0.342775 I\n0.840814 0.038881 0.157225 I\n0.340814 0.461119 0.657225 I\n0.970255 0.858627 0.002932 I\n0.470255 0.641373 0.502932 I\n0.029745 0.141373 0.997068 I\n0.529745 0.358627 0.497068 I\n0.225425 0.787642 0.153509 I\n0.725425 0.712358 0.653509 I\n0.774575 0.212358 0.846491 I\n0.274575 0.287642 0.346491 I\n0.571176 0.853181 0.083051 I\n0.071176 0.646819 0.583051 I\n0.428824 0.146819 0.916949 I\n0.928824 0.353181 0.416949 I\n0.020364 0.740987 0.811824 I\n0.520364 0.759013 0.311824 I\n0.979636 0.259013 0.188176 I\n0.479636 0.240987 0.688176 I\n0.067581 0.630439 0.007352 I\n0.567581 0.869561 0.507352 I\n0.932419 0.369561 0.992648 I\n0.432419 0.130439 0.492648 I\n0.460384 0.625429 0.063224 I\n0.960384 0.874571 0.563224 I\n0.539616 0.374571 0.936776 I\n0.039616 0.125429 0.436776 I\n0.639128 0.734525 0.901059 I\n0.139128 0.765475 0.401059 I\n0.360872 0.265475 0.098941 I\n0.860872 0.234525 0.598941 I\n0.370410 0.796775 0.745325 I\n0.870410 0.703225 0.245325 I\n0.629590 0.203225 0.254675 I\n0.129590 0.296775 0.754675 I\n0.325069 0.593619 0.851847 I\n0.825069 0.906381 0.351847 I\n0.674931 0.406381 0.148153 I\n0.174931 0.093619 0.648153 I\n0.282098 0.940083 0.028961 N\n0.782098 0.559917 0.528961 N\n0.717902 0.059917 0.971039 N\n0.217902 0.440083 0.471039 N\n0.473705 0.918850 0.907389 F\n0.973705 0.581150 0.407389 F\n0.526295 0.081150 0.092611 F\n0.026295 0.418850 0.592611 F\n","nsites":156,"nelements":7,"elements":["B","H","C","S","I","N","F"],"chemical_system":"B-C-F-H-I-N-S","density":2.951826151305294,"density_atomic":0.04584656823302496,"volume":3402.65380839623,"volume_molar":13.135423199815492,"formula_full":"B44 H44 C16 S4 I40 N4 F4","formula_reduced":"B11H11C4SI10NF","formula_anonymous":"ABCD4E10F11G11","energy":-771.07338931,"energy_per_atom":-4.9427781366025645,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-750.60938931,"band_gap":2.213,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0005873,"is_theoretical":false,"updated_at":"2021-11-28T01:37:39.836000Z","spacegroup":14}]}