{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-decomposes_to&page=10243","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-decomposes_to&page=10241","results":[{"id":"mp-1196333","created_at":"2022-09-04T14:43:58.867058Z","structure_string":"Cu2 H56 C20 N12 Cl8\n1.0\n0.000000 -8.715877 0.000000\n-9.994584 -4.357938 0.000000\n-0.612668 -4.357938 -12.931279\nCu H C N Cl\n2 56 20 12 8\ndirect\n0.219107 0.250000 0.750000 Cu\n0.780893 0.750000 0.250000 Cu\n0.812785 0.197980 0.929993 H\n0.940758 0.302020 0.570007 H\n0.187215 0.802020 0.070007 H\n0.059242 0.697980 0.429993 H\n0.384472 0.311748 0.126157 H\n0.822377 0.188252 0.373843 H\n0.615528 0.688252 0.873843 H\n0.177623 0.811748 0.626157 H\n0.929446 0.193578 0.017659 H\n0.140682 0.306422 0.482341 H\n0.070554 0.806422 0.982341 H\n0.859318 0.693578 0.517659 H\n0.316231 0.370585 0.291794 H\n0.978610 0.129415 0.208206 H\n0.683769 0.629415 0.708206 H\n0.021390 0.870585 0.791794 H\n0.534434 0.248048 0.276746 H\n0.059227 0.251952 0.223254 H\n0.465566 0.751952 0.723254 H\n0.940773 0.748048 0.776746 H\n0.311597 0.613835 0.241899 H\n0.167331 0.886165 0.258101 H\n0.688403 0.386165 0.758101 H\n0.832669 0.113835 0.741899 H\n0.776653 0.503327 0.093269 H\n0.373249 0.996673 0.406731 H\n0.223347 0.496673 0.906731 H\n0.626751 0.003327 0.593269 H\n0.506784 0.594610 0.272026 H\n0.373420 0.905390 0.227974 H\n0.493216 0.405390 0.727974 H\n0.626580 0.094610 0.772026 H\n0.514484 0.139369 0.152829 H\n0.806682 0.360631 0.347171 H\n0.485516 0.860631 0.847171 H\n0.193318 0.639369 0.652829 H\n0.505922 0.198636 0.023964 H\n0.728521 0.301364 0.476036 H\n0.494078 0.801364 0.976036 H\n0.271479 0.698636 0.523964 H\n0.456017 0.387361 0.355755 H\n0.199133 0.112639 0.144245 H\n0.543983 0.612639 0.644245 H\n0.800867 0.887361 0.855755 H\n0.828506 0.073524 0.034315 H\n0.936345 0.426476 0.465685 H\n0.171494 0.926476 0.965685 H\n0.063655 0.573524 0.534315 H\n0.827300 0.417682 0.983381 H\n0.228363 0.082318 0.516619 H\n0.172700 0.582318 0.016619 H\n0.771637 0.917682 0.483381 H\n0.493786 0.631683 0.141536 H\n0.267005 0.868317 0.358464 H\n0.506214 0.368317 0.858464 H\n0.732995 0.131683 0.641536 H\n0.643100 0.379236 0.111396 C\n0.133732 0.120764 0.388604 C\n0.356900 0.620764 0.888604 C\n0.866268 0.879236 0.611396 C\n0.452122 0.354397 0.285135 C\n0.091654 0.145603 0.214865 C\n0.547878 0.645603 0.714865 C\n0.908346 0.854397 0.785135 C\n0.454666 0.577353 0.214171 C\n0.246189 0.922647 0.285829 C\n0.545334 0.422647 0.785829 C\n0.753811 0.077353 0.714171 C\n0.816797 0.177637 0.011072 C\n0.005506 0.322363 0.488928 C\n0.183203 0.822363 0.988928 C\n0.994494 0.677637 0.511072 C\n0.505098 0.226599 0.097860 C\n0.829557 0.273401 0.402140 C\n0.494902 0.773401 0.902140 C\n0.170443 0.726599 0.597860 C\n0.517947 0.434651 0.197169 N\n0.149768 0.065349 0.302831 N\n0.482053 0.565349 0.802831 N\n0.850232 0.934651 0.697169 N\n0.754313 0.439752 0.057873 N\n0.251938 0.060248 0.442127 N\n0.245687 0.560248 0.942127 N\n0.748062 0.939752 0.557873 N\n0.655982 0.264214 0.079433 N\n0.999629 0.235786 0.420567 N\n0.344018 0.735786 0.920567 N\n0.000371 0.764214 0.579433 N\n0.994450 0.449401 0.801746 Cl\n0.245597 0.050599 0.698254 Cl\n0.005550 0.550599 0.198254 Cl\n0.754403 0.949401 0.301746 Cl\n0.363972 0.315774 0.594751 Cl\n0.274497 0.184226 0.905249 Cl\n0.636028 0.684226 0.405249 Cl\n0.725503 0.815774 0.094751 Cl\n","nsites":98,"nelements":5,"elements":["Cu","H","C","N","Cl"],"chemical_system":"C-Cl-Cu-H-N","density":1.2905226986327407,"density_atomic":0.08699790180967622,"volume":1126.4639486868646,"volume_molar":6.922167816385424,"formula_full":"Cu2 H56 C20 N12 Cl8","formula_reduced":"CuH28C10(N3Cl2)2","formula_anonymous":"AB4C6D10E28","energy":-529.84633655,"energy_per_atom":-5.406595270918368,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-520.60233655,"band_gap":0.735,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.0895497,"is_theoretical":false,"updated_at":"2021-11-28T01:36:11.528000Z","spacegroup":15},{"id":"mp-560459","created_at":"2022-09-04T14:43:58.913878Z","structure_string":"Rb6 Al4 P6 O24\n1.0\n4.389092 -8.687301 0.000000\n4.389092 8.687301 0.000000\n0.000000 0.000000 8.956704\nRb Al P O\n6 4 6 24\ndirect\n0.161748 0.932357 0.473543 Rb\n0.067643 0.838252 0.973543 Rb\n0.357352 0.357352 0.178227 Rb\n0.932357 0.161748 0.473543 Rb\n0.838252 0.067643 0.973543 Rb\n0.642648 0.642648 0.678227 Rb\n0.179380 0.514171 0.819025 Al\n0.485829 0.820620 0.319025 Al\n0.820620 0.485829 0.319025 Al\n0.514171 0.179380 0.819025 Al\n0.466085 0.875783 0.659148 P\n0.765805 0.765805 0.252968 P\n0.234195 0.234195 0.752968 P\n0.533915 0.124217 0.159148 P\n0.875783 0.466085 0.659148 P\n0.124217 0.533915 0.159148 P\n0.632828 0.774727 0.349715 O\n0.651774 0.956223 0.688142 O\n0.305636 0.648803 0.229388 O\n0.147733 0.580806 0.989665 O\n0.593359 0.016139 0.220238 O\n0.016139 0.593359 0.220238 O\n0.367172 0.225273 0.849715 O\n0.304881 0.304881 0.597863 O\n0.225273 0.367172 0.849715 O\n0.774727 0.632828 0.349715 O\n0.852267 0.419194 0.489665 O\n0.694364 0.351197 0.729388 O\n0.043777 0.348226 0.188142 O\n0.060593 0.060593 0.756333 O\n0.648803 0.305636 0.229388 O\n0.695119 0.695119 0.097863 O\n0.406641 0.983861 0.720238 O\n0.939407 0.939407 0.256333 O\n0.983861 0.406641 0.720238 O\n0.580806 0.147733 0.989665 O\n0.419194 0.852267 0.489665 O\n0.956223 0.651774 0.688142 O\n0.348226 0.043777 0.188142 O\n0.351197 0.694364 0.729388 O\n","nsites":40,"nelements":4,"elements":["Rb","Al","P","O"],"chemical_system":"Al-O-P-Rb","density":2.894429823484441,"density_atomic":0.05856285220968196,"volume":683.0268419437905,"volume_molar":10.283209462609445,"formula_full":"Rb6 Al4 P6 O24","formula_reduced":"Rb3Al2(PO4)3","formula_anonymous":"A2B3C3D12","energy":-289.41515658,"energy_per_atom":-7.235378914499999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-272.92715658,"band_gap":4.3548,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.19e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:36:11.797000Z","spacegroup":36},{"id":"mp-1190915","created_at":"2022-09-04T14:43:58.760696Z","structure_string":"Tc6 Cl18\n1.0\n7.574363 -5.239869 0.000000\n7.574363 5.239869 0.000000\n3.949474 0.000000 8.320388\nTc Cl\n6 18\ndirect\n0.380071 0.147315 0.147315 Tc\n0.147315 0.380071 0.147315 Tc\n0.147315 0.147315 0.380071 Tc\n0.619929 0.852685 0.852685 Tc\n0.852685 0.619929 0.852685 Tc\n0.852685 0.852685 0.619929 Tc\n0.376117 0.919005 0.376117 Cl\n0.376117 0.376117 0.919005 Cl\n0.919005 0.376117 0.376117 Cl\n0.623883 0.080995 0.623883 Cl\n0.623883 0.623883 0.080995 Cl\n0.080995 0.623883 0.623883 Cl\n0.326218 0.006756 0.006756 Cl\n0.006756 0.326218 0.006756 Cl\n0.006756 0.006756 0.326218 Cl\n0.673782 0.993244 0.993244 Cl\n0.993244 0.673782 0.993244 Cl\n0.993244 0.993244 0.673782 Cl\n0.534583 0.228881 0.228881 Cl\n0.228881 0.534583 0.228881 Cl\n0.228881 0.228881 0.534583 Cl\n0.465417 0.771119 0.771119 Cl\n0.771119 0.465417 0.771119 Cl\n0.771119 0.771119 0.465417 Cl\n","nsites":24,"nelements":2,"elements":["Tc","Cl"],"chemical_system":"Cl-Tc","density":3.082861384114912,"density_atomic":0.03633884527742697,"volume":660.4502651851836,"volume_molar":16.572185258018763,"formula_full":"Tc6 Cl18","formula_reduced":"TcCl3","formula_anonymous":"AB3","energy":-123.48010121,"energy_per_atom":-5.145004217083334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-112.42810121,"band_gap":0.6643000000000001,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0009154,"is_theoretical":false,"updated_at":"2021-11-28T01:36:24.288000Z","spacegroup":166},{"id":"mp-30792","created_at":"2022-09-04T14:43:58.761106Z","structure_string":"Na16 Pb16\n1.0\n-5.336804 5.336804 9.029306\n5.336804 -5.336804 9.029306\n5.336804 5.336804 -9.029306\nNa Pb\n16 16\ndirect\n0.243602 0.375000 0.368602 Na\n0.125000 0.256398 0.631398 Na\n0.625000 0.493602 0.368602 Na\n0.006398 0.875000 0.631398 Na\n0.506398 0.875000 0.131398 Na\n0.625000 0.993602 0.868602 Na\n0.125000 0.756398 0.131398 Na\n0.743602 0.375000 0.868602 Na\n0.875228 0.875228 0.250457 Na\n0.625228 0.874772 0.500000 Na\n0.374772 0.125228 0.500000 Na\n0.624772 0.624772 0.749543 Na\n0.874772 0.374772 0.249543 Na\n0.124772 0.375228 0.000000 Na\n0.375228 0.124772 0.000000 Na\n0.125228 0.625228 0.750457 Na\n0.932147 0.133991 0.938444 Pb\n0.883991 0.445547 0.701844 Pb\n0.743704 0.182147 0.298156 Pb\n0.317853 0.756296 0.701844 Pb\n0.054453 0.616009 0.298156 Pb\n0.506296 0.304453 0.938444 Pb\n0.366009 0.567853 0.061556 Pb\n0.195547 0.993704 0.061556 Pb\n0.817853 0.116009 0.561556 Pb\n0.866009 0.804453 0.798156 Pb\n0.006296 0.067853 0.201844 Pb\n0.432147 0.493704 0.798156 Pb\n0.695547 0.633991 0.201843 Pb\n0.243704 0.945547 0.561556 Pb\n0.383991 0.682147 0.438444 Pb\n0.554453 0.256296 0.438444 Pb\n","nsites":32,"nelements":2,"elements":["Na","Pb"],"chemical_system":"Na-Pb","density":5.945360983636159,"density_atomic":0.03110807299284508,"volume":1028.671882291136,"volume_molar":19.358771471910536,"formula_full":"Na16 Pb16","formula_reduced":"NaPb","formula_anonymous":"AB","energy":-86.22542947,"energy_per_atom":-2.6945446709375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-86.22542947,"band_gap":0.2400999999999999,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0004434,"is_theoretical":false,"updated_at":"2021-11-28T01:36:10.982000Z","spacegroup":142},{"id":"mp-883780","created_at":"2022-09-04T14:43:58.765343Z","structure_string":"Li3 Mn6 P6 O24\n1.0\n7.326722 0.000000 0.000000\n-0.382499 8.467633 0.000000\n-0.413846 -4.238394 7.435220\nLi Mn P O\n3 6 6 24\ndirect\n0.065080 0.642788 0.022408 Li\n0.087644 0.642438 0.663661 Li\n0.593199 0.365435 0.981743 Li\n0.743947 0.954559 0.026554 Mn\n0.279039 0.976010 0.009717 Mn\n0.795225 0.976527 0.349709 Mn\n0.219377 0.998408 0.328389 Mn\n0.712713 0.041647 0.645580 Mn\n0.303833 0.985868 0.670536 Mn\n0.501693 0.716165 0.319852 P\n0.498201 0.605588 0.039578 P\n0.998157 0.323724 0.356459 P\n0.509541 0.673451 0.652721 P\n0.989450 0.405568 0.951804 P\n0.018141 0.282308 0.676466 P\n0.953933 0.123175 0.030796 O\n0.021555 0.311382 0.099865 O\n0.662060 0.920608 0.259521 O\n0.321211 0.844426 0.288417 O\n0.325472 0.445658 0.143122 O\n0.675330 0.390717 0.157024 O\n0.987400 0.641032 0.481668 O\n0.005215 0.646647 0.149631 O\n0.991538 0.066893 0.405351 O\n0.501237 0.756826 0.196156 O\n0.671954 0.720738 0.573250 O\n0.323610 0.723086 0.573705 O\n0.833099 0.310970 0.418710 O\n0.182095 0.264316 0.444279 O\n0.060961 0.229118 0.806373 O\n0.506664 0.922307 0.611700 O\n0.519359 0.344443 0.860794 O\n0.533503 0.364356 0.520784 O\n0.147393 0.589099 0.825091 O\n0.809868 0.622504 0.836694 O\n0.846936 0.097717 0.736934 O\n0.182163 0.129508 0.705868 O\n0.478162 0.705017 0.886057 O\n0.522867 0.895542 0.955685 O\n","nsites":39,"nelements":4,"elements":["Li","Mn","P","O"],"chemical_system":"Li-Mn-O-P","density":3.312861307219451,"density_atomic":0.08454716383589245,"volume":461.28099667186586,"volume_molar":7.12281818428479,"formula_full":"Li3 Mn6 P6 O24","formula_reduced":"LiMn2(PO4)2","formula_anonymous":"AB2C2D8","energy":-141.98472683,"energy_per_atom":-3.640634021282051,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-128.11272683,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":18.7478468,"is_theoretical":true,"updated_at":"2021-11-28T01:36:09.925000Z","spacegroup":1},{"id":"mp-703567","created_at":"2022-09-04T14:43:58.768617Z","structure_string":"Ti2 H24 N4 O8 F12\n1.0\n10.130702 0.000000 0.000000\n0.000000 6.272491 0.000000\n0.000000 2.622055 7.021225\nTi H N O F\n2 24 4 8 12\ndirect\n0.500000 0.000000 0.500000 Ti\n0.000000 0.000000 0.000000 Ti\n0.772967 0.484850 0.320869 H\n0.272967 0.515150 0.179131 H\n0.227033 0.515150 0.679131 H\n0.727033 0.484850 0.820869 H\n0.621282 0.555830 0.380999 H\n0.121282 0.444170 0.119001 H\n0.378718 0.444170 0.619001 H\n0.878718 0.555830 0.880999 H\n0.736513 0.764058 0.279155 H\n0.236513 0.235942 0.220845 H\n0.263487 0.235942 0.720845 H\n0.763487 0.764058 0.779155 H\n0.555458 0.670722 0.098711 H\n0.055458 0.329278 0.401289 H\n0.444542 0.329278 0.901289 H\n0.944542 0.670722 0.598711 H\n0.625545 0.156650 0.833964 H\n0.125545 0.843350 0.666036 H\n0.374455 0.843350 0.166036 H\n0.874455 0.156650 0.333964 H\n0.626635 0.179805 0.039974 H\n0.126635 0.820195 0.460026 H\n0.373365 0.820195 0.960026 H\n0.873365 0.179805 0.539974 H\n0.698027 0.609139 0.282982 N\n0.198027 0.390861 0.217018 N\n0.301973 0.390861 0.717018 N\n0.801973 0.609139 0.782982 N\n0.652225 0.630887 0.098879 O\n0.152225 0.369113 0.401121 O\n0.347775 0.369113 0.901121 O\n0.847775 0.630887 0.598879 O\n0.607227 0.261688 0.903392 O\n0.107227 0.738312 0.596608 O\n0.392773 0.738312 0.096608 O\n0.892773 0.261688 0.403392 O\n0.382142 0.942907 0.706648 F\n0.882142 0.057093 0.793352 F\n0.617858 0.057093 0.293352 F\n0.117858 0.942907 0.206648 F\n0.639505 0.006026 0.668883 F\n0.139505 0.993974 0.831117 F\n0.360495 0.993974 0.331117 F\n0.860495 0.006026 0.168883 F\n0.522327 0.683494 0.559007 F\n0.022327 0.316506 0.940993 F\n0.477673 0.316506 0.440993 F\n0.977673 0.683494 0.059007 F\n","nsites":50,"nelements":5,"elements":["Ti","H","N","O","F"],"chemical_system":"F-H-N-O-Ti","density":1.9797437473316029,"density_atomic":0.11206694330036676,"volume":446.161896876118,"volume_molar":5.373699489473175,"formula_full":"Ti2 H24 N4 O8 F12","formula_reduced":"TiH12N2(O2F3)2","formula_anonymous":"AB2C4D6E12","energy":-274.50064306,"energy_per_atom":-5.4900128612,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-262.01664306,"band_gap":3.8263,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:36:10.134000Z","spacegroup":14},{"id":"mp-755770","created_at":"2022-09-04T14:43:58.770085Z","structure_string":"Ba4 La2 I14\n1.0\n4.646579 9.245938 0.000000\n-4.646579 9.245938 0.000000\n0.000000 6.415651 9.824861\nBa La I\n4 2 14\ndirect\n0.295438 0.307061 0.306658 Ba\n0.692939 0.704562 0.193342 Ba\n0.307061 0.295438 0.806658 Ba\n0.704562 0.692939 0.693342 Ba\n0.013390 0.986610 0.750000 La\n0.986610 0.013390 0.250000 La\n0.068583 0.755498 0.078953 I\n0.680802 0.925751 0.352489 I\n0.882181 0.376990 0.538134 I\n0.380801 0.619199 0.750000 I\n0.074249 0.319198 0.147511 I\n0.244502 0.931417 0.421047 I\n0.623010 0.117819 0.961866 I\n0.376990 0.882181 0.038134 I\n0.755498 0.068583 0.578953 I\n0.925751 0.680802 0.852489 I\n0.619199 0.380801 0.250000 I\n0.117819 0.623010 0.461866 I\n0.319198 0.074249 0.647511 I\n0.931417 0.244502 0.921047 I\n","nsites":20,"nelements":3,"elements":["Ba","La","I"],"chemical_system":"Ba-I-La","density":5.1216857156319975,"density_atomic":0.02369132131998239,"volume":844.1909900200901,"volume_molar":25.419184851123685,"formula_full":"Ba4 La2 I14","formula_reduced":"Ba2LaI7","formula_anonymous":"AB2C7","energy":-76.8609389,"energy_per_atom":-3.8430469449999998,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-71.5549389,"band_gap":1.6953999999999998,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001064,"is_theoretical":true,"updated_at":"2021-11-28T01:36:28.054000Z","spacegroup":15},{"id":"mp-770626","created_at":"2022-09-04T14:43:58.775229Z","structure_string":"Li12 Ni4 P2 C8 O32\n1.0\n0.000000 6.594561 6.594561\n6.594561 0.000000 6.594561\n6.594561 6.594561 0.000000\nLi Ni P C O\n12 4 2 8 32\ndirect\n0.282394 0.282394 0.717606 Li\n0.967606 0.532394 0.532394 Li\n0.717606 0.282394 0.717606 Li\n0.282394 0.717606 0.282394 Li\n0.532394 0.967606 0.967606 Li\n0.532394 0.532394 0.967606 Li\n0.717606 0.282394 0.282394 Li\n0.717606 0.717606 0.282394 Li\n0.967606 0.532394 0.967606 Li\n0.532394 0.967606 0.532394 Li\n0.282394 0.717606 0.717606 Li\n0.967606 0.967606 0.532394 Li\n0.625000 0.125000 0.125000 Ni\n0.125000 0.125000 0.125000 Ni\n0.125000 0.125000 0.625000 Ni\n0.125000 0.625000 0.125000 Ni\n0.500000 0.500000 0.500000 P\n0.750000 0.750000 0.750000 P\n0.294266 0.901911 0.901911 C\n0.901911 0.294266 0.901911 C\n0.901911 0.901911 0.901911 C\n0.901911 0.901911 0.294266 C\n0.348089 0.348089 0.955734 C\n0.348089 0.348089 0.348089 C\n0.348089 0.955734 0.348089 C\n0.955734 0.348089 0.348089 C\n0.215273 0.493092 0.336976 O\n0.954659 0.336976 0.493092 O\n0.295341 0.034727 0.913024 O\n0.034727 0.295341 0.756908 O\n0.295341 0.756908 0.034727 O\n0.567776 0.567776 0.296673 O\n0.913024 0.034727 0.756908 O\n0.567776 0.567776 0.567776 O\n0.567776 0.296673 0.567776 O\n0.913024 0.295341 0.034727 O\n0.756908 0.295341 0.913024 O\n0.296673 0.567776 0.567776 O\n0.034727 0.913024 0.295341 O\n0.756908 0.913024 0.034727 O\n0.913024 0.756908 0.295341 O\n0.493092 0.215273 0.954659 O\n0.756908 0.034727 0.295341 O\n0.336976 0.493092 0.954659 O\n0.493092 0.336976 0.215273 O\n0.215273 0.336976 0.954659 O\n0.953327 0.682224 0.682224 O\n0.493092 0.954659 0.336976 O\n0.336976 0.954659 0.215273 O\n0.682224 0.953327 0.682224 O\n0.682224 0.682224 0.682224 O\n0.336976 0.215273 0.493092 O\n0.682224 0.682224 0.953327 O\n0.954659 0.493092 0.215273 O\n0.215273 0.954659 0.493092 O\n0.954659 0.215273 0.336976 O\n0.295341 0.913024 0.756908 O\n0.034727 0.756908 0.913024 O\n","nsites":58,"nelements":5,"elements":["Li","Ni","P","C","O"],"chemical_system":"C-Li-Ni-O-P","density":2.8605749533694125,"density_atomic":0.10112076077401908,"volume":573.5716341139506,"volume_molar":5.955395028581773,"formula_full":"Li12 Ni4 P2 C8 O32","formula_reduced":"Li6Ni2P(CO4)4","formula_anonymous":"AB2C4D6E16","energy":-407.66396829,"energy_per_atom":-7.028689108448276,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-375.51596829,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.9953579,"is_theoretical":true,"updated_at":"2021-11-28T01:36:06.927000Z","spacegroup":203},{"id":"mp-756452","created_at":"2022-09-04T14:43:58.780503Z","structure_string":"Sm4 Dy4 O12\n1.0\n5.801912 0.000000 0.000000\n0.000000 6.059173 0.000000\n0.000000 0.000000 8.477487\nSm Dy O\n4 4 12\ndirect\n0.986946 0.051456 0.250000 Sm\n0.486946 0.448544 0.750000 Sm\n0.513054 0.551456 0.250000 Sm\n0.013054 0.948544 0.750000 Sm\n0.500000 0.000000 0.000000 Dy\n0.500000 0.000000 0.500000 Dy\n0.000000 0.500000 0.000000 Dy\n0.000000 0.500000 0.500000 Dy\n0.640686 0.073596 0.750000 O\n0.180607 0.183879 0.572579 O\n0.180607 0.183879 0.927421 O\n0.680607 0.316121 0.427421 O\n0.680607 0.316121 0.072579 O\n0.140686 0.426404 0.250000 O\n0.859314 0.573596 0.750000 O\n0.319393 0.683879 0.927421 O\n0.319393 0.683879 0.572579 O\n0.819393 0.816121 0.072579 O\n0.819393 0.816121 0.427421 O\n0.359314 0.926404 0.250000 O\n","nsites":20,"nelements":3,"elements":["Sm","Dy","O"],"chemical_system":"Dy-O-Sm","density":8.042555098332654,"density_atomic":0.06710863005046364,"volume":298.02426282522254,"volume_molar":8.973720303143628,"formula_full":"Sm4 Dy4 O12","formula_reduced":"SmDyO3","formula_anonymous":"ABC3","energy":-173.89430537000004,"energy_per_atom":-8.694715268500001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-165.65030537,"band_gap":4.5279,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":6.98e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:36:06.939000Z","spacegroup":62},{"id":"mp-775172","created_at":"2022-09-04T14:43:58.785154Z","structure_string":"Li10 Sc4 Fe6 Si20 O60\n1.0\n22.263868 4.936050 0.000000\n-22.263868 4.936050 0.000000\n0.000000 1.892247 5.037513\nLi Sc Fe Si O\n10 4 6 20 60\ndirect\n0.350473 0.649527 0.000000 Li\n0.450715 0.549285 0.500000 Li\n0.250336 0.749664 0.500000 Li\n0.050796 0.949204 0.500000 Li\n0.149933 0.850067 0.000000 Li\n0.850516 0.149484 0.500000 Li\n0.750306 0.249694 0.000000 Li\n0.550827 0.449173 0.000000 Li\n0.950570 0.049430 0.000000 Li\n0.649321 0.350679 0.500000 Li\n0.179075 0.820925 0.500000 Sc\n0.379562 0.620438 0.500000 Sc\n0.779433 0.220567 0.500000 Sc\n0.979816 0.020184 0.500000 Sc\n0.421634 0.578366 0.000000 Fe\n0.221282 0.778718 0.000000 Fe\n0.021500 0.978500 0.000000 Fe\n0.620763 0.379237 0.000000 Fe\n0.821403 0.178597 0.000000 Fe\n0.579192 0.420808 0.500000 Fe\n0.684631 0.719208 0.023278 Si\n0.714555 0.879300 0.479385 Si\n0.520643 0.885679 0.520754 Si\n0.679825 0.915366 0.975325 Si\n0.484465 0.920228 0.024821 Si\n0.079772 0.515535 0.975179 Si\n0.280792 0.315369 0.976722 Si\n0.877581 0.713783 0.981343 Si\n0.884261 0.520424 0.024067 Si\n0.084634 0.320175 0.024675 Si\n0.114321 0.479357 0.479246 Si\n0.911450 0.677516 0.481614 Si\n0.920616 0.485997 0.520060 Si\n0.719971 0.683392 0.519188 Si\n0.120700 0.285445 0.520615 Si\n0.514003 0.079384 0.479940 Si\n0.322484 0.088550 0.518386 Si\n0.479576 0.115739 0.975933 Si\n0.286217 0.122419 0.018657 Si\n0.316608 0.280029 0.480812 Si\n0.756433 0.955778 0.691238 O\n0.820899 0.920115 0.410326 O\n0.749798 0.951441 0.196696 O\n0.864368 0.897449 0.911315 O\n0.448352 0.850250 0.803417 O\n0.648878 0.648868 0.803270 O\n0.480135 0.779598 0.589857 O\n0.283157 0.983339 0.583208 O\n0.535597 0.700007 0.603998 O\n0.334958 0.900200 0.604600 O\n0.444111 0.843588 0.308720 O\n0.377324 0.879015 0.089406 O\n0.577931 0.678590 0.086792 O\n0.301440 0.935878 0.088115 O\n0.502054 0.735482 0.088153 O\n0.351132 0.351122 0.196730 O\n0.264518 0.497946 0.911847 O\n0.064122 0.698560 0.911885 O\n0.919005 0.821015 0.913369 O\n0.120985 0.622676 0.910594 O\n0.321410 0.422069 0.913208 O\n0.952045 0.752397 0.696126 O\n0.156412 0.555889 0.691280 O\n0.099800 0.665042 0.395400 O\n0.899225 0.862840 0.396343 O\n0.299993 0.464403 0.396002 O\n0.220402 0.519865 0.410143 O\n0.016661 0.716843 0.416792 O\n0.951198 0.753369 0.197270 O\n0.149750 0.551648 0.196583 O\n0.044222 0.243567 0.308762 O\n0.844123 0.444086 0.308161 O\n0.977623 0.279117 0.089100 O\n0.777044 0.479215 0.086675 O\n0.699321 0.533502 0.100489 O\n0.102551 0.135632 0.088685 O\n0.901882 0.335650 0.087953 O\n0.848397 0.450295 0.803611 O\n0.048559 0.250202 0.803304 O\n0.079885 0.179101 0.589674 O\n0.880412 0.380142 0.588386 O\n0.678240 0.576088 0.587630 O\n0.731475 0.498696 0.601759 O\n0.935387 0.300135 0.604289 O\n0.643809 0.642551 0.308242 O\n0.501304 0.268525 0.398241 O\n0.699865 0.064613 0.395711 O\n0.423912 0.321760 0.412370 O\n0.619858 0.119588 0.411614 O\n0.549705 0.151603 0.196389 O\n0.466498 0.300679 0.899511 O\n0.664350 0.098118 0.912047 O\n0.720883 0.022377 0.910900 O\n0.520785 0.222956 0.913325 O\n0.357449 0.356191 0.691758 O\n0.555914 0.155877 0.691839 O\n0.137160 0.100775 0.603657 O\n0.247603 0.047955 0.303874 O\n0.178985 0.080995 0.086631 O\n0.246631 0.048802 0.802730 O\n","nsites":100,"nelements":5,"elements":["Li","Sc","Fe","Si","O"],"chemical_system":"Fe-Li-O-Sc-Si","density":3.1584682140433453,"density_atomic":0.09031786351384863,"volume":1107.2006811218114,"volume_molar":6.667718351283422,"formula_full":"Li10 Sc4 Fe6 Si20 O60","formula_reduced":"Li5Sc2Fe3(SiO3)10","formula_anonymous":"A2B3C5D10E30","energy":-799.67471869,"energy_per_atom":-7.9967471868999995,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-744.91871869,"band_gap":2.7961000000000005,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":30.0113239,"is_theoretical":true,"updated_at":"2021-11-28T01:36:07.787000Z","spacegroup":5},{"id":"mp-569783","created_at":"2022-09-04T14:43:58.788428Z","structure_string":"Er3 Fe9\n1.0\n4.821411 -0.013857 7.073251\n2.171204 4.304888 7.073251\n-0.022581 -0.013857 8.560161\nEr Fe\n3 9\ndirect\n0.141943 0.141943 0.141943 Er\n0.000000 0.000000 0.000000 Er\n0.858057 0.858057 0.858057 Er\n0.418132 0.418132 0.918004 Fe\n0.918004 0.418132 0.418132 Fe\n0.581868 0.081996 0.581868 Fe\n0.581868 0.581868 0.081996 Fe\n0.418132 0.918004 0.418132 Fe\n0.081996 0.581868 0.581868 Fe\n0.332810 0.332810 0.332810 Fe\n0.667190 0.667190 0.667190 Fe\n0.500000 0.500000 0.500000 Fe\n","nsites":12,"nelements":2,"elements":["Er","Fe"],"chemical_system":"Er-Fe","density":9.323725220001466,"density_atomic":0.06708457822041568,"volume":178.87866806842456,"volume_molar":8.976937650578083,"formula_full":"Er3 Fe9","formula_reduced":"ErFe3","formula_anonymous":"AB3","energy":-91.1249651,"energy_per_atom":-7.593747091666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-91.1249651,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":16.3321712,"is_theoretical":false,"updated_at":"2021-11-28T01:36:09.465000Z","spacegroup":166},{"id":"mp-580554","created_at":"2022-09-04T14:43:58.789952Z","structure_string":"Cs2 Li6 Br8\n1.0\n5.063307 0.000000 0.000000\n0.000000 8.825445 0.000000\n0.000000 0.000000 11.013397\nCs Li Br\n2 6 8\ndirect\n0.500000 0.144769 0.448947 Cs\n0.500000 0.644769 0.551053 Cs\n0.000000 0.114422 0.785508 Li\n0.000000 0.475075 0.853384 Li\n0.000000 0.614422 0.214492 Li\n0.500000 0.803614 0.953382 Li\n0.500000 0.303614 0.046618 Li\n0.000000 0.975075 0.146616 Li\n0.500000 0.485195 0.237931 Br\n0.500000 0.985195 0.762069 Br\n0.000000 0.746571 0.007636 Br\n0.500000 0.521820 0.858576 Br\n0.000000 0.337605 0.629364 Br\n0.000000 0.246571 0.992364 Br\n0.500000 0.021820 0.141424 Br\n0.000000 0.837605 0.370636 Br\n","nsites":16,"nelements":3,"elements":["Cs","Li","Br"],"chemical_system":"Br-Cs-Li","density":3.1942155270940247,"density_atomic":0.03251081186458984,"volume":492.14396941673726,"volume_molar":18.523501612579544,"formula_full":"Cs2 Li6 Br8","formula_reduced":"CsLi3Br4","formula_anonymous":"AB3C4","energy":-55.78022123,"energy_per_atom":-3.486263826875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-51.50822123,"band_gap":4.1475,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":3.2e-06,"is_theoretical":true,"updated_at":"2021-11-28T01:36:22.556000Z","spacegroup":26}]}