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O\n","nsites":28,"nelements":4,"elements":["Sr","La","In","O"],"chemical_system":"In-La-O-Sr","density":5.991610577413564,"density_atomic":0.06231203169748145,"volume":449.351421181982,"volume_molar":9.66449110379979,"formula_full":"Sr4 La4 In4 O16","formula_reduced":"SrLaInO4","formula_anonymous":"ABCD4","energy":-199.52801739,"energy_per_atom":-7.126000621071428,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-188.53601739,"band_gap":3.2261,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.006522,"is_theoretical":true,"updated_at":"2021-11-28T01:38:16.621000Z","spacegroup":29},{"id":"mp-1335998","created_at":"2022-09-04T14:47:59.725745Z","structure_string":"Ir12 C32 O32\n1.0\n9.835263 0.000000 0.000000\n-4.814947 8.617750 0.000000\n-2.137509 -4.509437 15.098386\nIr C O\n12 32 32\ndirect\n0.414693 0.167211 0.749256 Ir\n0.517010 0.538431 0.214052 Ir\n0.251541 0.731448 0.285599 Ir\n0.417849 0.724760 0.121773 Ir\n0.585307 0.832789 0.250744 Ir\n0.348494 0.542705 0.378368 Ir\n0.651506 0.457295 0.621632 Ir\n0.748459 0.268552 0.714401 Ir\n0.582151 0.275240 0.878227 Ir\n0.182102 0.433130 0.250985 Ir\n0.482990 0.461569 0.785948 Ir\n0.817898 0.566870 0.749015 Ir\n0.500038 0.661061 0.739764 C\n0.286410 0.388132 0.873141 C\n0.368723 0.634067 0.476393 C\n0.996624 0.603599 0.794690 C\n0.533950 0.071384 0.822653 C\n0.901344 0.242320 0.760837 C\n0.631277 0.365933 0.523607 C\n0.393657 0.359852 0.677373 C\n0.238083 0.841364 0.373002 C\n0.100057 0.490130 0.371583 C\n0.797669 0.964219 0.170346 C\n0.499962 0.338939 0.260236 C\n0.606342 0.640148 0.322627 C\n0.761917 0.158636 0.626998 C\n0.098656 0.757680 0.239163 C\n0.103039 0.211567 0.293506 C\n0.633465 0.968427 0.328941 C\n0.270151 0.332159 0.446925 C\n0.366535 0.031573 0.671059 C\n0.899943 0.509870 0.628417 C\n0.275571 0.718643 0.053678 C\n0.713590 0.611868 0.126859 C\n0.202331 0.035781 0.829654 C\n0.466050 0.928616 0.177347 C\n0.729849 0.667841 0.553075 C\n0.003376 0.396401 0.205310 C\n0.389120 0.155846 0.976820 C\n0.896961 0.788433 0.706494 C\n0.610880 0.844154 0.023180 C\n0.641577 0.527624 0.871125 C\n0.724429 0.281357 0.946323 C\n0.358423 0.472376 0.128875 C\n0.293411 0.358068 0.644200 O\n0.058176 0.076274 0.317236 O\n0.941824 0.923726 0.682764 O\n0.029836 0.579447 0.573109 O\n0.185967 0.708996 0.013127 O\n0.389849 0.697117 0.533075 O\n0.706589 0.641932 0.355800 O\n0.773675 0.094341 0.573781 O\n0.495834 0.936856 0.854880 O\n0.074243 0.957855 0.879471 O\n0.894076 0.373185 0.180434 O\n0.504878 0.777491 0.709471 O\n0.610151 0.302883 0.466925 O\n0.833272 0.659647 0.071039 O\n0.215299 0.200894 0.486919 O\n0.337610 0.956168 0.620043 O\n0.105924 0.626815 0.819566 O\n0.226325 0.905659 0.426219 O\n0.784701 0.799106 0.513081 O\n0.504166 0.063144 0.145120 O\n0.662390 0.043832 0.379957 O\n0.657543 0.601108 0.926021 O\n0.270775 0.077298 0.034646 O\n0.729225 0.922702 0.965354 O\n0.342457 0.398892 0.073979 O\n0.970164 0.420553 0.426891 O\n0.166728 0.340353 0.928961 O\n0.814033 0.291004 0.986873 O\n0.009937 0.778365 0.209694 O\n0.925757 0.042145 0.120529 O\n0.495122 0.222509 0.290529 O\n0.990063 0.221635 0.790306 O\n","nsites":76,"nelements":3,"elements":["Ir","C","O"],"chemical_system":"C-Ir-O","density":4.156097928413374,"density_atomic":0.05938861528567776,"volume":1279.7065503954975,"volume_molar":10.140227602599632,"formula_full":"Ir12 C32 O32","formula_reduced":"Ir3(CO)8","formula_anonymous":"A3B8C8","energy":-459.27669079,"energy_per_atom":-6.0431143525,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-437.2926907900001,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.002171,"is_theoretical":true,"updated_at":"2021-11-28T01:38:28.342000Z","spacegroup":2}]}