{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=is_magnetic&page=107","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=is_magnetic&page=105","results":[{"id":"mp-766340","created_at":"2022-09-04T14:41:54.525117Z","structure_string":"Ba8 Ca4 I24\n1.0\n7.697660 0.000000 0.000000\n0.000000 8.536413 0.000000\n0.000000 0.000000 28.207745\nBa Ca I\n8 4 24\ndirect\n0.000000 0.250000 0.049072 Ba\n0.000000 0.750000 0.284041 Ba\n0.000000 0.250000 0.715959 Ba\n0.000000 0.750000 0.950928 Ba\n0.500000 0.250000 0.215959 Ba\n0.500000 0.250000 0.549072 Ba\n0.500000 0.750000 0.784041 Ba\n0.500000 0.750000 0.450928 Ba\n0.000000 0.250000 0.382115 Ca\n0.000000 0.750000 0.617885 Ca\n0.500000 0.250000 0.882115 Ca\n0.500000 0.750000 0.117885 Ca\n0.251582 0.589388 0.041539 I\n0.251582 0.089388 0.958461 I\n0.269239 0.590907 0.198302 I\n0.269239 0.090907 0.801698 I\n0.229591 0.553861 0.372388 I\n0.229591 0.053861 0.627612 I\n0.270409 0.553861 0.872388 I\n0.270409 0.053861 0.127612 I\n0.230761 0.090907 0.301698 I\n0.230761 0.590907 0.698302 I\n0.248418 0.089388 0.458461 I\n0.248418 0.589388 0.541539 I\n0.751582 0.410612 0.458461 I\n0.751582 0.910612 0.541539 I\n0.769239 0.409093 0.301698 I\n0.769239 0.909093 0.698302 I\n0.729591 0.446139 0.127612 I\n0.729591 0.946139 0.872388 I\n0.770409 0.446139 0.627612 I\n0.770409 0.946139 0.372388 I\n0.730761 0.909093 0.198302 I\n0.730761 0.409093 0.801698 I\n0.748418 0.910612 0.041539 I\n0.748418 0.410612 0.958461 I\n","nsites":36,"nelements":3,"elements":["Ba","Ca","I"],"chemical_system":"Ba-Ca-I","density":3.856407742104963,"density_atomic":0.01942227006329974,"volume":1853.5423450848564,"volume_molar":31.006369185337498,"formula_full":"Ba8 Ca4 I24","formula_reduced":"Ba2CaI6","formula_anonymous":"AB2C6","energy":-130.56396528,"energy_per_atom":-3.626776813333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-121.46796528,"band_gap":3.8212,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0047627,"is_theoretical":true,"updated_at":"2021-11-28T01:35:30.847000Z","spacegroup":60},{"id":"mp-31407","created_at":"2022-09-04T14:41:54.528348Z","structure_string":"Ba10 In8 Bi10\n1.0\n10.788583 0.000000 0.000000\n0.000000 10.788583 0.000000\n0.000000 0.000000 9.155393\nBa In Bi\n10 8 10\ndirect\n0.000000 0.000000 0.198468 Ba\n0.500000 0.500000 0.698468 Ba\n0.189990 0.605294 0.374172 Ba\n0.605294 0.810010 0.374172 Ba\n0.394706 0.189990 0.374172 Ba\n0.810010 0.394706 0.374172 Ba\n0.689990 0.894706 0.874172 Ba\n0.310010 0.105294 0.874172 Ba\n0.894706 0.310010 0.874172 Ba\n0.105294 0.689990 0.874172 Ba\n0.684435 0.572142 0.031027 In\n0.315565 0.427858 0.031027 In\n0.427858 0.684435 0.031027 In\n0.572142 0.315565 0.031027 In\n0.927858 0.815565 0.531027 In\n0.815565 0.072142 0.531027 In\n0.184435 0.927858 0.531027 In\n0.072142 0.184435 0.531027 In\n0.000000 0.000000 0.812152 Bi\n0.500000 0.500000 0.312152 Bi\n0.890266 0.690386 0.192591 Bi\n0.109734 0.309614 0.192591 Bi\n0.309614 0.890266 0.192591 Bi\n0.690386 0.109734 0.192591 Bi\n0.809614 0.609734 0.692591 Bi\n0.609734 0.190386 0.692591 Bi\n0.390266 0.809614 0.692591 Bi\n0.190386 0.390266 0.692591 Bi\n","nsites":28,"nelements":3,"elements":["Ba","In","Bi"],"chemical_system":"Ba-Bi-In","density":6.827753035215075,"density_atomic":0.026275574828069692,"volume":1065.6284470735209,"volume_molar":22.919158950489116,"formula_full":"Ba10 In8 Bi10","formula_reduced":"Ba5In4Bi5","formula_anonymous":"A4B5C5","energy":-98.18781824,"energy_per_atom":-3.506707794285714,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-98.18781824,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0164358,"is_theoretical":false,"updated_at":"2021-11-28T01:35:32.896000Z","spacegroup":104},{"id":"mp-1193129","created_at":"2022-09-04T14:41:54.529063Z","structure_string":"Lu2 Ni21 B6\n1.0\n-5.307109 -5.307109 -0.000000\n-5.307109 -0.000000 -5.307109\n0.000000 -5.307109 -5.307109\nLu Ni B\n2 21 6\ndirect\n0.250000 0.250000 0.250000 Lu\n0.750000 0.750000 0.750000 Lu\n0.000000 0.000000 -0.000000 Ni\n0.838342 0.387219 0.387219 Ni\n0.387219 0.838342 0.387219 Ni\n0.387219 0.387219 0.838342 Ni\n0.387219 0.387219 0.387219 Ni\n0.161658 0.612781 0.612781 Ni\n0.612781 0.161658 0.612781 Ni\n0.612781 0.612781 0.161658 Ni\n0.612781 0.612781 0.612781 Ni\n0.662840 -0.000000 0.000000 Ni\n0.662840 -0.000000 0.337160 Ni\n0.662840 0.337160 -0.000000 Ni\n0.000000 0.662840 0.337160 Ni\n-0.000000 0.662840 0.000000 Ni\n0.337160 0.662840 0.000000 Ni\n-0.000000 0.337160 0.662840 Ni\n0.337160 0.000000 0.662840 Ni\n-0.000000 0.000000 0.662840 Ni\n0.337160 0.000000 -0.000000 Ni\n0.000000 0.337160 -0.000000 Ni\n0.000000 -0.000000 0.337160 Ni\n0.727846 0.272154 0.272154 B\n0.727846 0.272154 0.727846 B\n0.727846 0.727846 0.272154 B\n0.272154 0.727846 0.727846 B\n0.272154 0.727846 0.272154 B\n0.272154 0.272154 0.727846 B\n","nsites":29,"nelements":3,"elements":["Lu","Ni","B"],"chemical_system":"B-Lu-Ni","density":9.15027117758372,"density_atomic":0.09700496868726353,"volume":298.95375868316336,"volume_molar":6.208074536279593,"formula_full":"Lu2 Ni21 B6","formula_reduced":"Lu2(Ni7B2)3","formula_anonymous":"A2B6C21","energy":-181.19397363,"energy_per_atom":-6.248068056206896,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-181.19397363,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0094536,"is_theoretical":false,"updated_at":"2021-11-28T01:35:31.848000Z","spacegroup":225},{"id":"mp-757138","created_at":"2022-09-04T14:41:52.599886Z","structure_string":"Li8 Sn4 P16 O48\n1.0\n14.315294 0.000000 0.000000\n0.000000 7.747743 0.000000\n0.000000 6.117998 10.427516\nLi Sn P O\n8 4 16 48\ndirect\n0.795991 0.399724 0.695533 Li\n0.361335 0.064719 0.071850 Li\n0.295991 0.600276 0.804467 Li\n0.861335 0.935281 0.428150 Li\n0.138665 0.064719 0.571850 Li\n0.704009 0.399724 0.195533 Li\n0.638665 0.935281 0.928150 Li\n0.204009 0.600276 0.304467 Li\n0.357847 0.742335 0.482463 Sn\n0.857847 0.257665 0.017537 Sn\n0.142153 0.742335 0.982463 Sn\n0.642153 0.257665 0.517537 Sn\n0.165502 0.428032 0.633969 P\n0.585338 0.569700 0.645018 P\n0.695225 0.869676 0.200610 P\n0.085338 0.430300 0.854982 P\n0.088817 0.054712 0.112381 P\n0.665502 0.571968 0.866031 P\n0.588817 0.945288 0.387619 P\n0.195225 0.130324 0.299390 P\n0.804775 0.869676 0.700610 P\n0.411183 0.054712 0.612381 P\n0.334498 0.428032 0.133969 P\n0.911183 0.945288 0.887619 P\n0.914662 0.569700 0.145018 P\n0.304775 0.130324 0.799390 P\n0.414662 0.430300 0.354982 P\n0.834498 0.571968 0.366031 P\n0.255370 0.350100 0.734212 O\n0.661944 0.422035 0.661682 O\n0.121165 0.209368 0.966500 O\n0.851091 0.705310 0.419808 O\n0.639000 0.887635 0.091773 O\n0.488347 0.526729 0.620478 O\n0.082061 0.399458 0.732636 O\n0.143396 0.863145 0.153336 O\n0.683258 0.354430 0.957901 O\n0.183258 0.645570 0.542099 O\n0.625861 0.834467 0.314656 O\n0.582061 0.600542 0.767364 O\n0.988347 0.473271 0.879522 O\n0.621165 0.790632 0.533500 O\n0.984273 0.045454 0.123206 O\n0.767231 0.023559 0.183385 O\n0.267231 0.976441 0.316615 O\n0.484273 0.954546 0.376794 O\n0.161944 0.577965 0.838318 O\n0.755370 0.649900 0.765788 O\n0.125861 0.165533 0.185344 O\n0.648909 0.705310 0.919808 O\n0.861000 0.887635 0.591773 O\n0.356604 0.863145 0.653336 O\n0.643396 0.136855 0.346664 O\n0.139000 0.112365 0.408227 O\n0.351091 0.294690 0.080192 O\n0.874139 0.834467 0.814656 O\n0.244630 0.350100 0.234212 O\n0.838056 0.422035 0.161682 O\n0.515727 0.045454 0.623206 O\n0.732769 0.023559 0.683385 O\n0.232769 0.976441 0.816615 O\n0.015727 0.954546 0.876794 O\n0.378835 0.209368 0.466500 O\n0.011653 0.526729 0.120478 O\n0.417939 0.399458 0.232636 O\n0.374139 0.165533 0.685344 O\n0.816742 0.354430 0.457901 O\n0.316742 0.645570 0.042099 O\n0.856604 0.136855 0.846664 O\n0.917939 0.600542 0.267364 O\n0.511653 0.473271 0.379522 O\n0.361000 0.112365 0.908227 O\n0.148909 0.294690 0.580192 O\n0.878835 0.790632 0.033500 O\n0.338056 0.577965 0.338318 O\n0.744630 0.649900 0.265788 O\n","nsites":76,"nelements":4,"elements":["Li","Sn","P","O"],"chemical_system":"Li-O-P-Sn","density":2.5757023785980144,"density_atomic":0.06571390102186794,"volume":1156.5285094657386,"volume_molar":9.164180890731146,"formula_full":"Li8 Sn4 P16 O48","formula_reduced":"Li2Sn(PO3)4","formula_anonymous":"AB2C4D12","energy":-545.20988972,"energy_per_atom":-7.173814338421052,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-512.23388972,"band_gap":4.0236,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":9.52e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:35:34.327000Z","spacegroup":14},{"id":"mp-1185426","created_at":"2022-09-04T14:41:54.538896Z","structure_string":"Lu3 Si1\n1.0\n4.541419 0.000000 0.000000\n0.000000 4.541419 0.000000\n0.000000 0.000000 4.541419\nLu Si\n3 1\ndirect\n0.000000 0.500000 0.500000 Lu\n0.500000 0.000000 0.500000 Lu\n0.500000 0.500000 0.000000 Lu\n0.000000 0.000000 0.000000 Si\n","nsites":4,"nelements":2,"elements":["Lu","Si"],"chemical_system":"Lu-Si","density":9.803675071189396,"density_atomic":0.04270564381908651,"volume":93.66443500875809,"volume_molar":14.101510295715327,"formula_full":"Lu3 Si1","formula_reduced":"Lu3Si","formula_anonymous":"AB3","energy":-19.88524028,"energy_per_atom":-4.97131007,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-19.95624028,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.1967054,"is_theoretical":true,"updated_at":"2021-11-28T01:35:32.292000Z","spacegroup":221},{"id":"mp-18880","created_at":"2022-09-04T14:41:51.693673Z","structure_string":"Er2 V2 O8\n1.0\n-2.529806 2.529806 5.598155\n2.529806 -2.529806 5.598155\n2.529806 2.529806 -5.598155\nEr V O\n2 2 8\ndirect\n0.500000 0.500000 0.000000 Er\n0.250000 0.750000 0.500000 Er\n0.000000 0.000000 0.000000 V\n0.750000 0.250000 0.500000 V\n0.931475 0.824405 0.593399 O\n0.088076 0.181475 0.607070 O\n0.574405 0.481006 0.392930 O\n0.231006 0.338076 0.406601 O\n0.518994 0.911924 0.093399 O\n0.175595 0.768994 0.107070 O\n0.661924 0.068525 0.892930 O\n0.818525 0.425595 0.906601 O\n","nsites":12,"nelements":3,"elements":["Er","V","O"],"chemical_system":"Er-O-V","density":6.53963985235324,"density_atomic":0.08373401179707439,"volume":143.31094070927188,"volume_molar":7.191988811660412,"formula_full":"Er2 V2 O8","formula_reduced":"ErVO4","formula_anonymous":"ABC4","energy":-105.00875088,"energy_per_atom":-8.75072924,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-96.11275088,"band_gap":2.7173,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:35:26.541000Z","spacegroup":88},{"id":"mp-1111636","created_at":"2022-09-04T14:41:52.604473Z","structure_string":"Rb2 Er1 Ag1 Cl6\n1.0\n0.000000 5.367039 5.367039\n5.367039 0.000000 5.367039\n5.367039 5.367039 0.000000\nRb Er Ag Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Er\n0.500000 0.500000 0.500000 Ag\n0.756554 0.243446 0.243446 Cl\n0.243446 0.243446 0.756554 Cl\n0.243446 0.756554 0.756554 Cl\n0.243446 0.756554 0.243446 Cl\n0.756554 0.243446 0.756554 Cl\n0.756554 0.756554 0.243446 Cl\n","nsites":10,"nelements":4,"elements":["Rb","Er","Ag","Cl"],"chemical_system":"Ag-Cl-Er-Rb","density":3.537983324942999,"density_atomic":0.03234191645643367,"volume":309.1962720722054,"volume_molar":18.620234728860776,"formula_full":"Rb2 Er1 Ag1 Cl6","formula_reduced":"Rb2ErAgCl6","formula_anonymous":"ABC2D6","energy":-42.27773829,"energy_per_atom":-4.227773829,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-38.59373829,"band_gap":3.7293,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.000946,"is_theoretical":true,"updated_at":"2021-11-28T01:35:28.187000Z","spacegroup":225},{"id":"mp-1208840","created_at":"2022-09-04T14:41:54.563441Z","structure_string":"Sr2 Ho1 Cu2 Bi2 O8\n1.0\n-1.888970 1.888970 15.309421\n1.888970 -1.888970 15.309421\n1.888970 1.888970 -15.309421\nSr Ho Cu Bi O\n2 1 2 2 8\ndirect\n0.114848 0.114848 0.000000 Sr\n0.885152 0.885152 0.000000 Sr\n0.000000 0.000000 0.000000 Ho\n0.448854 0.448854 0.000000 Cu\n0.551146 0.551146 0.000000 Cu\n0.295495 0.295495 0.000000 Bi\n0.704505 0.704505 0.000000 Bi\n0.548028 0.048028 0.500000 O\n0.451972 0.951972 0.500000 O\n0.048028 0.548028 0.500000 O\n0.951972 0.451972 0.500000 O\n0.199528 0.199528 0.000000 O\n0.800472 0.800472 0.000000 O\n0.365013 0.365013 0.000000 O\n0.634987 0.634987 0.000000 O\n","nsites":15,"nelements":5,"elements":["Sr","Ho","Cu","Bi","O"],"chemical_system":"Bi-Cu-Ho-O-Sr","density":7.699867510279,"density_atomic":0.06864712927260622,"volume":218.50877318457339,"volume_molar":8.772603929416094,"formula_full":"Sr2 Ho1 Cu2 Bi2 O8","formula_reduced":"Sr2HoCu2(BiO4)2","formula_anonymous":"AB2C2D2E8","energy":-95.93976801,"energy_per_atom":-6.395984533999999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-90.44376801,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":4.61e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:35:31.114000Z","spacegroup":139},{"id":"mp-3218","created_at":"2022-09-04T14:41:53.223823Z","structure_string":"Er1 Si2 Pd2\n1.0\n-2.066430 2.066430 4.988632\n2.066430 -2.066430 4.988632\n2.066430 2.066430 -4.988632\nEr Si Pd\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Er\n0.615549 0.615549 0.000000 Si\n0.384451 0.384451 0.000000 Si\n0.250000 0.750000 0.500000 Pd\n0.750000 0.250000 0.500000 Pd\n","nsites":5,"nelements":3,"elements":["Er","Si","Pd"],"chemical_system":"Er-Pd-Si","density":8.502009607054186,"density_atomic":0.05867960049309639,"volume":85.20848741272951,"volume_molar":10.262750102922906,"formula_full":"Er1 Si2 Pd2","formula_reduced":"Er(SiPd)2","formula_anonymous":"AB2C2","energy":-30.43465161,"energy_per_atom":-6.086930322,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-30.43465161,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0022555,"is_theoretical":false,"updated_at":"2021-11-28T01:35:35.011000Z","spacegroup":139},{"id":"mp-758651","created_at":"2022-09-04T14:41:55.644026Z","structure_string":"Li9 Sb9 P12 O48\n1.0\n8.977086 0.000000 0.000000\n0.219010 9.105529 0.000000\n0.069100 0.197941 13.373763\nLi Sb P O\n9 9 12 48\ndirect\n0.647883 0.468592 0.164390 Li\n0.013204 0.530180 0.506993 Li\n0.560120 0.160333 0.173503 Li\n0.938557 0.669422 0.825386 Li\n0.185341 0.002907 0.165286 Li\n0.474231 0.993049 0.503515 Li\n0.842217 0.967990 0.833963 Li\n0.105574 0.829323 0.493227 Li\n0.305404 0.505951 0.831098 Li\n0.790115 0.843146 0.135036 Sb\n0.872439 0.145944 0.529785 Sb\n0.299100 0.660369 0.137362 Sb\n0.634648 0.669878 0.471808 Sb\n0.040833 0.336106 0.198903 Sb\n0.371632 0.341800 0.525904 Sb\n0.716259 0.352978 0.864242 Sb\n0.463116 0.829408 0.797824 Sb\n0.202899 0.161511 0.867345 Sb\n0.853123 0.202457 0.056967 P\n0.994226 0.723309 0.280923 P\n0.353058 0.294854 0.059909 P\n0.678110 0.276236 0.384019 P\n0.489894 0.803841 0.277921 P\n0.818207 0.798455 0.615269 P\n0.177934 0.195595 0.389755 P\n0.508899 0.213506 0.723088 P\n0.316271 0.701987 0.605288 P\n0.651985 0.694896 0.948406 P\n0.014284 0.303162 0.719377 P\n0.150019 0.794334 0.936387 P\n0.000526 0.882766 0.239726 O\n0.833528 0.364873 0.089319 O\n0.734641 0.099814 0.097854 O\n0.641828 0.674204 0.064073 O\n0.838709 0.668789 0.241515 O\n0.495048 0.368743 0.089891 O\n0.832292 0.330997 0.422225 O\n0.652612 0.293714 0.273143 O\n0.610449 0.900798 0.223165 O\n0.017732 0.337325 0.607025 O\n0.928441 0.901920 0.560534 O\n0.508597 0.638100 0.261456 O\n0.346536 0.134413 0.091127 O\n0.832531 0.637588 0.575286 O\n0.675619 0.115149 0.426518 O\n0.215755 0.388742 0.110193 O\n0.176043 0.815758 0.052744 O\n0.556447 0.377043 0.442351 O\n0.492026 0.841367 0.390276 O\n0.886189 0.400589 0.770096 O\n0.336130 0.848280 0.227289 O\n0.826246 0.807207 0.727999 O\n0.655710 0.843745 0.571406 O\n0.005017 0.870912 0.906980 O\n0.011170 0.156390 0.101856 O\n0.332010 0.149349 0.437994 O\n0.173908 0.162836 0.276146 O\n0.663885 0.162621 0.765210 O\n0.115056 0.620350 0.222965 O\n0.497987 0.174539 0.609748 O\n0.454294 0.609222 0.555378 O\n0.861105 0.195987 0.939479 O\n0.775387 0.592508 0.904265 O\n0.323503 0.863494 0.577469 O\n0.162847 0.361950 0.406906 O\n0.670140 0.858222 0.920026 O\n0.485440 0.377678 0.739746 O\n0.056722 0.099327 0.442707 O\n0.014201 0.700528 0.391984 O\n0.386523 0.117720 0.778678 O\n0.337672 0.676011 0.722162 O\n0.175407 0.629619 0.571894 O\n0.498808 0.651707 0.897495 O\n0.162598 0.348706 0.773648 O\n0.327943 0.318694 0.943380 O\n0.284247 0.885735 0.885064 O\n0.159022 0.634263 0.906731 O\n0.001890 0.138188 0.743999 O\n","nsites":78,"nelements":4,"elements":["Li","Sb","P","O"],"chemical_system":"Li-O-P-Sb","density":3.490586316829976,"density_atomic":0.07135105720233456,"volume":1093.1863248894915,"volume_molar":8.440156314604629,"formula_full":"Li9 Sb9 P12 O48","formula_reduced":"Li3Sb3(PO4)4","formula_anonymous":"A3B3C4D16","energy":-545.1094039,"energy_per_atom":-6.98858210128205,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-512.1334039,"band_gap":3.3206999999999995,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:35:34.351000Z","spacegroup":1},{"id":"mp-1112383","created_at":"2022-09-04T14:41:54.992859Z","structure_string":"K2 In1 Cu1 Cl6\n1.0\n0.000000 5.087141 5.087141\n5.087141 0.000000 5.087141\n5.087141 5.087141 0.000000\nK In Cu Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 Cu\n0.746984 0.253016 0.253016 Cl\n0.253016 0.253016 0.746984 Cl\n0.253016 0.746984 0.746984 Cl\n0.253016 0.746984 0.253016 Cl\n0.746984 0.253016 0.746984 Cl\n0.746984 0.746984 0.253016 Cl\n","nsites":10,"nelements":4,"elements":["K","In","Cu","Cl"],"chemical_system":"Cl-Cu-In-K","density":2.959569387135689,"density_atomic":0.037979450681273945,"volume":263.3002800361875,"volume_molar":15.856313485253386,"formula_full":"K2 In1 Cu1 Cl6","formula_reduced":"K2InCuCl6","formula_anonymous":"ABC2D6","energy":-36.70982654,"energy_per_atom":-3.6709826540000003,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-33.02582654,"band_gap":0.0444999999999999,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0139821,"is_theoretical":true,"updated_at":"2021-11-28T01:35:36.311000Z","spacegroup":225},{"id":"mp-540668","created_at":"2022-09-04T14:41:58.744651Z","structure_string":"B16 S32\n1.0\n4.922928 0.000000 0.000000\n0.000000 12.458633 0.000000\n0.000000 6.725316 20.858170\nB S\n16 32\ndirect\n0.861555 0.085580 0.630461 B\n0.361555 0.914420 0.869539 B\n0.138445 0.914420 0.369539 B\n0.638445 0.085580 0.130461 B\n0.685583 0.271006 0.533440 B\n0.185583 0.728994 0.966560 B\n0.314417 0.728994 0.466560 B\n0.814417 0.271006 0.033440 B\n0.610574 0.693557 0.592534 B\n0.110574 0.306443 0.907466 B\n0.389426 0.306443 0.407466 B\n0.889426 0.693557 0.092534 B\n0.831551 0.833079 0.655815 B\n0.331551 0.166921 0.844185 B\n0.168449 0.166921 0.344185 B\n0.668449 0.833079 0.155815 B\n0.966118 0.198320 0.660762 S\n0.466118 0.801680 0.839238 S\n0.033882 0.801680 0.339238 S\n0.533882 0.198320 0.160762 S\n0.832718 0.337643 0.587977 S\n0.332718 0.662357 0.912023 S\n0.167282 0.662357 0.412023 S\n0.667282 0.337643 0.087977 S\n0.689299 0.118811 0.553950 S\n0.189299 0.881189 0.946050 S\n0.310701 0.881189 0.446050 S\n0.810701 0.118811 0.053950 S\n0.552650 0.373131 0.461112 S\n0.052650 0.626869 0.038888 S\n0.447350 0.626869 0.538888 S\n0.947350 0.373131 0.961112 S\n0.740757 0.591438 0.663972 S\n0.240757 0.408562 0.836028 S\n0.259243 0.408562 0.336028 S\n0.759243 0.591438 0.163972 S\n0.907152 0.696222 0.711356 S\n0.407152 0.303778 0.788644 S\n0.092848 0.303778 0.288644 S\n0.592848 0.696222 0.211356 S\n0.654776 0.842414 0.581884 S\n0.154776 0.157586 0.918116 S\n0.345224 0.157586 0.418116 S\n0.845224 0.842414 0.081884 S\n0.952456 0.947180 0.684456 S\n0.452456 0.052820 0.815544 S\n0.047544 0.052820 0.315544 S\n0.547544 0.947180 0.184456 S\n","nsites":48,"nelements":2,"elements":["B","S"],"chemical_system":"B-S","density":1.5563901888633156,"density_atomic":0.037520719491561,"volume":1279.2931652282402,"volume_molar":16.05017398814667,"formula_full":"B16 S32","formula_reduced":"BS2","formula_anonymous":"AB2","energy":-274.25753249,"energy_per_atom":-5.713698593541667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-258.16153249,"band_gap":2.4370000000000003,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0005008,"is_theoretical":false,"updated_at":"2021-11-28T01:35:35.911000Z","spacegroup":14}]}