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-0.119943 -0.276994\n-0.130433 6.839087 -0.037106\n-0.477265 -0.057634 10.969773\nMg Zn Se O\n1 4 8 20\ndirect\n0.941413 0.302635 0.615667 Mg\n0.752414 0.968235 0.911005 Zn\n0.346742 0.521285 0.562623 Zn\n0.235739 0.001109 0.046990 Zn\n0.781848 0.551492 0.412800 Zn\n0.972091 0.380467 0.874030 Se\n0.487098 0.145612 0.661735 Se\n0.983059 0.834977 0.669534 Se\n0.450265 0.615051 0.858496 Se\n0.937408 0.641333 0.148188 Se\n0.448121 0.883933 0.342837 Se\n0.015205 0.131140 0.340257 Se\n0.494103 0.380051 0.169289 Se\n0.839190 0.008385 0.588661 O\n0.212928 0.521802 0.934535 O\n0.243531 0.989996 0.425748 O\n0.678124 0.537502 0.084690 O\n0.256734 0.278824 0.666762 O\n0.612066 0.188351 0.805939 O\n0.823914 0.761021 0.781780 O\n0.355134 0.683291 0.716003 O\n0.862451 0.736358 0.282363 O\n0.318719 0.808806 0.208874 O\n0.129268 0.206940 0.216548 O\n0.659114 0.326972 0.296866 O\n0.044379 0.334475 0.437859 O\n0.501930 0.172740 0.083715 O\n0.941179 0.846171 0.058127 O\n0.474258 0.664915 0.426920 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0.017223 N\n0.416790 0.025191 0.839835 N\n0.307094 0.306477 0.761022 N\n0.592562 0.081598 0.061407 N\n0.909157 0.900566 0.659321 N\n0.128921 0.247735 0.309956 N\n0.813485 0.539180 0.060609 N\n0.339641 0.203927 0.979936 N\n0.416563 0.244905 0.997281 N\n0.534852 0.368774 0.662989 N\n0.897773 0.694355 0.279583 N\n0.207575 0.913522 0.700690 N\n0.143675 0.653740 0.252230 N\n0.705257 0.626657 0.441975 N\n0.674703 0.007667 0.385740 N\n0.121609 0.951645 0.687270 N\n0.950838 0.196918 0.155176 N\n0.877627 0.961777 0.590152 N\n0.947786 0.981300 0.958198 N\n0.498054 0.044165 0.602627 N\n0.917036 0.141828 0.354489 N\n0.282333 0.005612 0.249608 N\n0.057674 0.914678 0.370489 N\n0.423025 0.538450 0.856892 N\n0.864785 0.215825 0.105796 N\n0.795449 0.475002 0.618775 N\n0.833650 0.221566 0.864094 N\n0.855431 0.969762 0.197808 N\n0.561167 0.352152 0.353679 N\n0.740190 0.267611 0.497809 N\n0.197970 0.946839 0.970539 N\n0.632861 0.404190 0.089316 N\n0.322230 0.630224 0.645851 N\n0.437228 0.925078 0.849710 N\n0.622802 0.157958 0.125702 N\n0.480656 0.319943 0.610342 N\n0.678558 0.469508 0.864851 N\n","nsites":100,"nelements":2,"elements":["Ga","N"],"chemical_system":"Ga-N","density":4.143879506337119,"density_atomic":0.059608539594111436,"volume":1677.6119777623057,"volume_molar":10.102815470746597,"formula_full":"Ga50 N50","formula_reduced":"GaN","formula_anonymous":"AB","energy":-565.8652866,"energy_per_atom":-5.658652866,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-547.8152866,"band_gap":0.0767000000000002,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:34:30.598000Z","spacegroup":1},{"id":"mp-1033179","created_at":"2022-09-04T14:40:11.863598Z","structure_string":"Mg6 Bi1 B1 O8\n1.0\n8.943887 0.000000 0.000000\n-0.000000 4.458721 0.000000\n0.000000 0.000000 4.458721\nMg Bi B O\n6 1 1 8\ndirect\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.224296 0.000000 0.500000 Mg\n0.775704 -0.000000 0.500000 Mg\n0.224296 0.500000 0.000000 Mg\n0.775704 0.500000 -0.000000 Mg\n0.500000 0.000000 -0.000000 Bi\n0.000000 0.000000 -0.000000 B\n0.232553 0.000000 0.000000 O\n0.767447 0.000000 -0.000000 O\n0.251146 0.500000 0.500000 O\n0.748854 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 -0.000000 O\n0.500000 0.500000 -0.000000 O\n","nsites":16,"nelements":4,"elements":["Mg","Bi","B","O"],"chemical_system":"B-Bi-Mg-O","density":4.609904779961304,"density_atomic":0.08998561388646194,"volume":177.80619933523786,"volume_molar":6.69233725248388,"formula_full":"Mg6 Bi1 B1 O8","formula_reduced":"Mg6BiBO8","formula_anonymous":"ABC6D8","energy":-94.09925749,"energy_per_atom":-5.881203593125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-88.60325749,"band_gap":0.6990999999999996,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:34:46.572000Z","spacegroup":123}]}