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0.572855 Ba\n0.754296 0.504674 0.927145 Ba\n0.754296 0.504674 0.572855 Ba\n0.254296 0.995326 0.927145 Ba\n0.745704 0.004674 0.427145 Ba\n0.245704 0.495326 0.072855 Ba\n0.145299 0.590637 0.750000 Sn\n0.645299 0.909363 0.750000 Sn\n0.354701 0.090637 0.250000 Sn\n0.854701 0.409363 0.250000 Sn\n0.742204 0.514100 0.135236 Se\n0.746460 0.523066 0.750000 Se\n0.753540 0.023066 0.250000 Se\n0.253540 0.476934 0.250000 Se\n0.242204 0.985900 0.364764 Se\n0.757796 0.014100 0.864764 Se\n0.257796 0.485900 0.635236 Se\n0.257796 0.485900 0.864764 Se\n0.742204 0.514100 0.364764 Se\n0.242204 0.985900 0.135236 Se\n0.246460 0.976934 0.750000 Se\n0.757796 0.014100 0.635236 Se\n0.498505 0.253842 0.998724 F\n0.998505 0.246158 0.501276 F\n0.501495 0.746158 0.498724 F\n0.498505 0.253842 0.501276 F\n0.998505 0.246158 0.998724 F\n0.001495 0.753842 0.498724 F\n0.501495 0.746158 0.001276 F\n0.001495 0.753842 0.001276 F\n","nsites":32,"nelements":4,"elements":["Ba","Sn","Se","F"],"chemical_system":"Ba-F-Se-Sn","density":5.174669705964397,"density_atomic":0.03730701755192247,"volume":857.7474721870659,"volume_molar":16.142112543889677,"formula_full":"Ba8 Sn4 Se12 F8","formula_reduced":"Ba2SnSe3F2","formula_anonymous":"AB2C2D3","energy":-166.29091512999997,"energy_per_atom":-5.196591097812499,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-156.93091513,"band_gap":1.7221999999999995,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.000149,"is_theoretical":false,"updated_at":"2021-11-28T01:37:51.439000Z","spacegroup":62},{"id":"mp-1238781","created_at":"2022-09-04T14:46:57.543967Z","structure_string":"La4 Al2 O9\n1.0\n5.554378 -0.011653 0.617783\n-0.111748 6.418580 0.100761\n-1.396137 0.035876 7.347102\nLa Al O\n4 2 9\ndirect\n0.156477 0.860321 0.707477 La\n0.129403 0.672932 0.226976 La\n0.729796 0.415088 0.872417 La\n0.692371 0.162782 0.367169 La\n0.224528 0.340100 0.660192 Al\n0.221262 0.211927 0.089471 Al\n0.127076 0.204060 0.857062 O\n0.941966 0.391461 0.554991 O\n0.393703 0.572219 0.699963 O\n0.348559 0.978075 0.174299 O\n0.435379 0.151499 0.608557 O\n0.440872 0.410407 0.139020 O\n0.943864 0.876309 0.436107 O\n0.949907 0.313563 0.157752 O\n0.942128 0.705779 0.938822 O\n","nsites":15,"nelements":3,"elements":["La","Al","O"],"chemical_system":"Al-La-O","density":4.679008901194217,"density_atomic":0.05608760872186933,"volume":267.4387505871915,"volume_molar":10.737025338097332,"formula_full":"La4 Al2 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