{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=nelements&page=10227","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=nelements&page=10225","results":[{"id":"mp-754431","created_at":"2022-09-04T14:44:53.470821Z","structure_string":"Li3 Cr1 Ni2 O6\n1.0\n1.447221 6.434816 0.000000\n-1.447221 6.434816 0.000000\n0.000000 1.294782 5.661382\nLi Cr Ni O\n3 1 2 6\ndirect\n0.000000 0.000000 0.000000 Li\n0.668744 0.668744 0.673542 Li\n0.331256 0.331256 0.326458 Li\n0.000000 0.000000 0.500000 Cr\n0.666247 0.666247 0.163146 Ni\n0.333753 0.333753 0.836854 Ni\n0.158036 0.158036 0.403834 O\n0.831283 0.831283 0.067129 O\n0.841964 0.841964 0.596166 O\n0.501917 0.501917 0.731741 O\n0.498083 0.498083 0.268259 O\n0.168717 0.168717 0.932871 O\n","nsites":12,"nelements":4,"elements":["Li","Cr","Ni","O"],"chemical_system":"Cr-Li-Ni-O","density":4.507116385412275,"density_atomic":0.11380407203171322,"volume":105.44438160926279,"volume_molar":5.291674236684465,"formula_full":"Li3 Cr1 Ni2 O6","formula_reduced":"Li3Cr(NiO3)2","formula_anonymous":"AB2C3D6","energy":-78.20510207000001,"energy_per_atom":-6.5170918391666675,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-67.00210207,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.9998989,"is_theoretical":true,"updated_at":"2021-11-28T01:36:43.039000Z","spacegroup":12},{"id":"mp-753284","created_at":"2022-09-04T14:44:55.935560Z","structure_string":"Li4 Co4 C8 O24\n1.0\n2.351381 2.169484 4.718769\n15.414435 -1.242345 -2.708157\n-1.175325 4.071407 -4.724261\nLi Co C O\n4 4 8 24\ndirect\n0.370390 0.169218 0.098654 Li\n0.869458 0.669145 0.096598 Li\n0.270784 0.419838 0.402880 Li\n0.772482 0.918919 0.402542 Li\n0.964645 0.000994 0.964618 Co\n0.499803 0.750876 0.535036 Co\n0.462535 0.501286 0.963375 Co\n0.998745 0.251227 0.536768 Co\n0.801478 0.109742 0.570616 C\n0.298863 0.610118 0.568573 C\n0.227783 0.360583 0.930599 C\n0.733487 0.859247 0.929511 C\n0.872493 0.146505 0.112464 C\n0.372294 0.646695 0.111118 C\n0.759981 0.396707 0.387995 C\n0.259938 0.896442 0.389115 C\n0.846818 0.027727 0.644560 O\n0.342495 0.528245 0.642638 O\n0.197820 0.278667 0.856805 O\n0.704602 0.777381 0.854489 O\n0.077205 0.111389 0.068379 O\n0.575725 0.611608 0.065315 O\n0.009253 0.361392 0.434116 O\n0.508799 0.861562 0.433099 O\n0.686358 0.102648 0.040788 O\n0.186932 0.602619 0.041734 O\n0.643387 0.353038 0.457807 O\n0.145768 0.852269 0.460306 O\n0.570205 0.151623 0.451480 O\n0.068093 0.652533 0.450219 O\n0.115128 0.403020 0.048955 O\n0.620863 0.900972 0.048607 O\n0.020719 0.139232 0.629149 O\n0.519168 0.638841 0.626051 O\n0.390484 0.389204 0.872846 O\n0.895151 0.888669 0.872046 O\n0.860248 0.222035 0.212650 O\n0.360737 0.722319 0.210729 O\n0.650182 0.472223 0.287690 O\n0.147214 0.971946 0.289086 O\n","nsites":40,"nelements":4,"elements":["Li","Co","C","O"],"chemical_system":"C-Co-Li-O","density":2.50009574718231,"density_atomic":0.08099288249723852,"volume":493.8705570994317,"volume_molar":7.435395030180988,"formula_full":"Li4 Co4 C8 O24","formula_reduced":"LiCo(CO3)2","formula_anonymous":"ABC2D6","energy":-297.78555944000004,"energy_per_atom":-7.444638986000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-274.74555944,"band_gap":0.4384,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":7.9974535,"is_theoretical":true,"updated_at":"2021-11-28T01:36:41.695000Z","spacegroup":9},{"id":"mp-17902","created_at":"2022-09-04T14:45:07.055358Z","structure_string":"K6 Na2 Ru4 O16\n1.0\n3.047246 5.274302 0.000000\n-3.047246 5.274302 0.000000\n0.000000 0.108040 15.509437\nK Na Ru O\n6 2 4 16\ndirect\n0.302768 0.355689 0.915826 K\n0.644311 0.697232 0.584174 K\n0.935325 0.064675 0.750000 K\n0.064675 0.935325 0.250000 K\n0.355689 0.302768 0.415826 K\n0.697232 0.644311 0.084174 K\n0.000000 0.000000 0.500000 Na\n0.000000 0.000000 0.000000 Na\n0.637609 0.685752 0.860055 Ru\n0.314248 0.362391 0.639945 Ru\n0.362391 0.314248 0.139945 Ru\n0.685752 0.637609 0.360055 Ru\n0.391754 0.772513 0.421069 O\n0.227487 0.608246 0.078931 O\n0.608246 0.227487 0.578931 O\n0.772513 0.391754 0.921069 O\n0.843102 0.300971 0.377982 O\n0.699029 0.156898 0.122018 O\n0.156898 0.699029 0.622018 O\n0.300971 0.843102 0.877982 O\n0.859773 0.767936 0.411906 O\n0.232064 0.140227 0.088094 O\n0.140227 0.232064 0.588094 O\n0.767936 0.859773 0.911906 O\n0.737851 0.607899 0.751085 O\n0.392101 0.262149 0.748915 O\n0.262149 0.392101 0.248915 O\n0.607899 0.737851 0.251085 O\n","nsites":28,"nelements":4,"elements":["K","Na","Ru","O"],"chemical_system":"K-Na-O-Ru","density":3.1337634603996927,"density_atomic":0.056164189202868815,"volume":498.5383105747708,"volume_molar":10.722385287620948,"formula_full":"K6 Na2 Ru4 O16","formula_reduced":"K3Na(RuO4)2","formula_anonymous":"AB2C3D8","energy":-173.53931398999998,"energy_per_atom":-6.197832642499999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-162.54731399,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":8.0022639,"is_theoretical":false,"updated_at":"2021-11-28T01:36:48.953000Z","spacegroup":15},{"id":"mp-755008","created_at":"2022-09-04T14:44:59.122396Z","structure_string":"Li2 Fe1 Ni1 O4\n1.0\n2.910828 0.000000 0.000000\n0.000000 5.039102 0.000000\n0.000000 1.689227 4.762661\nLi Fe Ni O\n2 1 1 4\ndirect\n0.500000 0.500000 0.000000 Li\n0.000000 0.500000 0.500000 Li\n0.500000 0.000000 0.500000 Fe\n0.000000 0.000000 0.000000 Ni\n0.500000 0.778324 0.265985 O\n0.500000 0.221676 0.734015 O\n0.000000 0.228325 0.275195 O\n0.000000 0.771675 0.724805 O\n","nsites":8,"nelements":4,"elements":["Li","Fe","Ni","O"],"chemical_system":"Fe-Li-Ni-O","density":4.573781678413289,"density_atomic":0.1145171744116766,"volume":69.85851721455232,"volume_molar":5.258722799386465,"formula_full":"Li2 Fe1 Ni1 O4","formula_reduced":"Li2FeNiO4","formula_anonymous":"ABC2D4","energy":-51.29535562,"energy_per_atom":-6.4119194525,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-43.75035562,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.0006599,"is_theoretical":true,"updated_at":"2021-11-28T01:36:50.510000Z","spacegroup":10},{"id":"mp-755025","created_at":"2022-09-04T14:44:59.122542Z","structure_string":"V2 Cu2 P4 O16\n1.0\n5.919304 0.000000 0.000000\n0.000000 4.852662 0.000000\n0.000000 0.274625 9.790917\nV Cu P O\n2 2 4 16\ndirect\n0.750000 0.533359 0.220532 V\n0.250000 0.466641 0.779468 V\n0.250000 0.085688 0.283531 Cu\n0.750000 0.914312 0.716469 Cu\n0.250000 0.569830 0.094833 P\n0.750000 0.091290 0.401382 P\n0.250000 0.908710 0.598618 P\n0.750000 0.430170 0.905167 P\n0.750000 0.328652 0.056777 O\n0.250000 0.256445 0.105769 O\n0.035903 0.695230 0.166837 O\n0.464097 0.695230 0.166837 O\n0.945054 0.255230 0.323817 O\n0.554946 0.255230 0.323817 O\n0.750000 0.783376 0.370399 O\n0.250000 0.858212 0.447113 O\n0.750000 0.141788 0.552887 O\n0.250000 0.216624 0.629601 O\n0.054946 0.744770 0.676183 O\n0.445054 0.744770 0.676183 O\n0.535903 0.304770 0.833163 O\n0.964097 0.304770 0.833163 O\n0.750000 0.743555 0.894231 O\n0.250000 0.671348 0.943223 O\n","nsites":24,"nelements":4,"elements":["V","Cu","P","O"],"chemical_system":"Cu-O-P-V","density":3.594949582218312,"density_atomic":0.08533696345486406,"volume":281.23803599707344,"volume_molar":7.05689599933468,"formula_full":"V2 Cu2 P4 O16","formula_reduced":"VCu(PO4)2","formula_anonymous":"ABC2D8","energy":-182.57730827,"energy_per_atom":-7.607387844583333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-168.18530827,"band_gap":0.5038,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.0010073,"is_theoretical":true,"updated_at":"2021-11-28T01:36:49.061000Z","spacegroup":11},{"id":"mp-621981","created_at":"2022-09-04T14:45:08.925183Z","structure_string":"Tl8 Ag8 C16 N16\n1.0\n14.859908 0.000000 0.000000\n0.000000 7.871999 0.000000\n0.000000 0.318437 8.676653\nTl Ag C N\n8 8 16 16\ndirect\n0.952257 0.226917 0.531041 Tl\n0.261807 0.302607 0.973151 Tl\n0.047743 0.773083 0.468959 Tl\n0.738193 0.697393 0.026849 Tl\n0.547743 0.226917 0.031041 Tl\n0.452257 0.773083 0.968959 Tl\n0.238193 0.302607 0.473151 Tl\n0.761807 0.697393 0.526849 Tl\n0.000000 0.500000 0.000000 Ag\n0.179335 0.797399 0.953740 Ag\n0.820665 0.202601 0.046260 Ag\n0.679335 0.202601 0.546260 Ag\n0.320665 0.797399 0.453740 Ag\n0.500000 0.500000 0.500000 Ag\n0.500000 0.000000 0.500000 Ag\n0.000000 0.000000 0.000000 Ag\n0.936196 0.525187 0.211994 C\n0.683078 0.350282 0.342800 C\n0.163873 0.965114 0.765381 C\n0.563804 0.525187 0.711994 C\n0.068186 0.111589 0.179810 C\n0.816922 0.350282 0.842800 C\n0.663873 0.034886 0.734619 C\n0.436196 0.474813 0.288006 C\n0.316922 0.649718 0.657200 C\n0.568186 0.888411 0.320190 C\n0.336127 0.965114 0.265381 C\n0.931814 0.888411 0.820190 C\n0.431814 0.111589 0.679810 C\n0.183078 0.649718 0.157200 C\n0.063804 0.474813 0.788006 C\n0.836127 0.034886 0.234619 C\n0.588358 0.528688 0.841120 N\n0.179083 0.586168 0.282078 N\n0.399170 0.166773 0.790646 N\n0.088358 0.471312 0.658880 N\n0.820917 0.413832 0.717922 N\n0.679083 0.413832 0.217922 N\n0.899170 0.833227 0.709354 N\n0.100830 0.166773 0.290646 N\n0.411642 0.471312 0.158880 N\n0.353745 0.053622 0.157108 N\n0.320917 0.586168 0.782078 N\n0.600830 0.833227 0.209354 N\n0.146255 0.053622 0.657108 N\n0.853745 0.946378 0.342892 N\n0.911642 0.528688 0.341120 N\n0.646255 0.946378 0.842892 N\n","nsites":48,"nelements":4,"elements":["Tl","Ag","C","N"],"chemical_system":"Ag-C-N-Tl","density":4.767915422730486,"density_atomic":0.04729201919047823,"volume":1014.9704077271524,"volume_molar":12.733947213682299,"formula_full":"Tl8 Ag8 C16 N16","formula_reduced":"TlAg(CN)2","formula_anonymous":"ABC2D2","energy":-310.95000704,"energy_per_atom":-6.478125146666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-305.17400704,"band_gap":2.6135,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0079156,"is_theoretical":false,"updated_at":"2021-11-28T01:36:53.969000Z","spacegroup":14},{"id":"mp-573727","created_at":"2022-09-04T14:45:07.275329Z","structure_string":"Bi32 Sb4 Au4 Br36\n1.0\n15.586624 0.000000 0.000000\n0.000000 10.937210 0.000000\n0.000000 0.516887 15.231409\nBi Sb Au Br\n32 4 4 36\ndirect\n0.140989 0.047966 0.800274 Bi\n0.357805 0.938865 0.694819 Bi\n0.644894 0.307254 0.022146 Bi\n0.863834 0.549986 0.643064 Bi\n0.640989 0.952034 0.699726 Bi\n0.363834 0.450014 0.856936 Bi\n0.859011 0.952034 0.199726 Bi\n0.683331 0.578666 0.935195 Bi\n0.636166 0.549986 0.143064 Bi\n0.857805 0.061135 0.805181 Bi\n0.051747 0.230683 0.473212 Bi\n0.948253 0.769317 0.526788 Bi\n0.642195 0.061135 0.305181 Bi\n0.551747 0.769317 0.026788 Bi\n0.359011 0.047966 0.300274 Bi\n0.144894 0.692746 0.477854 Bi\n0.448253 0.230683 0.973212 Bi\n0.816669 0.578666 0.435195 Bi\n0.931405 0.379857 0.330148 Bi\n0.068595 0.620143 0.669852 Bi\n0.008981 0.337960 0.944832 Bi\n0.136166 0.450014 0.356936 Bi\n0.991019 0.662040 0.055168 Bi\n0.568595 0.379857 0.830148 Bi\n0.355106 0.692746 0.977854 Bi\n0.431405 0.620143 0.169852 Bi\n0.183331 0.421334 0.564805 Bi\n0.855106 0.307254 0.522146 Bi\n0.316669 0.421334 0.064805 Bi\n0.491019 0.337960 0.444832 Bi\n0.142195 0.938865 0.194819 Bi\n0.508981 0.662040 0.555168 Bi\n0.496645 0.228513 0.271111 Sb\n0.003355 0.228513 0.771111 Sb\n0.996645 0.771487 0.228889 Sb\n0.503355 0.771487 0.728889 Sb\n0.006407 0.376938 0.623987 Au\n0.993593 0.623062 0.376013 Au\n0.506407 0.623062 0.876013 Au\n0.493593 0.376938 0.123987 Au\n0.645197 0.174141 0.478835 Br\n0.370813 0.508853 0.372653 Br\n0.387402 0.484855 0.629484 Br\n0.870813 0.491147 0.127347 Br\n0.612598 0.515145 0.370516 Br\n0.502788 0.871146 0.322481 Br\n0.636582 0.020627 0.119193 Br\n0.130123 0.998302 0.619331 Br\n0.363418 0.979373 0.880807 Br\n0.843686 0.825214 0.023969 Br\n0.497212 0.128854 0.677519 Br\n0.854803 0.174141 0.978835 Br\n0.249094 0.741497 0.257182 Br\n0.369877 0.998302 0.119331 Br\n0.629187 0.491147 0.627347 Br\n0.343686 0.174786 0.476031 Br\n0.156314 0.174786 0.976031 Br\n0.744350 0.762462 0.264029 Br\n0.112598 0.484855 0.129484 Br\n0.997212 0.871146 0.822481 Br\n0.255650 0.237538 0.735971 Br\n0.244350 0.237538 0.235971 Br\n0.136582 0.979373 0.380807 Br\n0.755650 0.762462 0.764029 Br\n0.656314 0.825214 0.523969 Br\n0.869877 0.001698 0.380669 Br\n0.863418 0.020627 0.619193 Br\n0.750906 0.258503 0.742818 Br\n0.630123 0.001698 0.880669 Br\n0.002788 0.128854 0.177519 Br\n0.749094 0.258503 0.242818 Br\n0.129187 0.508853 0.872653 Br\n0.354803 0.825859 0.521165 Br\n0.145197 0.825859 0.021165 Br\n0.887402 0.515145 0.870516 Br\n0.250906 0.741497 0.757182 Br\n","nsites":76,"nelements":4,"elements":["Bi","Sb","Au","Br"],"chemical_system":"Au-Bi-Br-Sb","density":6.931584705863929,"density_atomic":0.029269472956457505,"volume":2596.5619576772287,"volume_molar":20.574817896307152,"formula_full":"Bi32 Sb4 Au4 Br36","formula_reduced":"Bi8SbAuBr9","formula_anonymous":"ABC8D9","energy":-267.80160863000003,"energy_per_atom":-3.523705376710527,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-247.80960863,"band_gap":1.1643000000000003,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.2093593,"is_theoretical":false,"updated_at":"2021-11-28T01:36:49.507000Z","spacegroup":14},{"id":"mp-654165","created_at":"2022-09-04T14:44:59.478701Z","structure_string":"Tl16 Mo4 C32 N32\n1.0\n3.707159 15.491364 0.000000\n-3.707159 15.491364 0.000000\n0.000000 8.307211 13.945296\nTl Mo C N\n16 4 32 32\ndirect\n0.672971 0.201746 0.361284 Tl\n0.976787 0.649892 0.584378 Tl\n0.201746 0.672971 0.861284 Tl\n0.035144 0.462760 0.115310 Tl\n0.192039 0.732177 0.517752 Tl\n0.798254 0.327029 0.138716 Tl\n0.023213 0.350108 0.415622 Tl\n0.267823 0.807961 0.982248 Tl\n0.732177 0.192039 0.017752 Tl\n0.964856 0.537240 0.884690 Tl\n0.327029 0.798254 0.638716 Tl\n0.350108 0.023213 0.915622 Tl\n0.649892 0.976787 0.084378 Tl\n0.462760 0.035144 0.615310 Tl\n0.537240 0.964856 0.384690 Tl\n0.807961 0.267823 0.482248 Tl\n0.616320 0.138931 0.760898 Mo\n0.138931 0.616320 0.260898 Mo\n0.383680 0.861069 0.239102 Mo\n0.861069 0.383680 0.739102 Mo\n0.395813 0.800047 0.137666 C\n0.570936 0.791946 0.111742 C\n0.987422 0.133376 0.790300 C\n0.984959 0.636702 0.263091 C\n0.626392 0.486640 0.815245 C\n0.280615 0.923333 0.381273 C\n0.361351 0.354238 0.211585 C\n0.363298 0.015041 0.236909 C\n0.177184 0.124915 0.149172 C\n0.199953 0.604187 0.362334 C\n0.513360 0.373608 0.684755 C\n0.373608 0.513360 0.184755 C\n0.015041 0.363298 0.736909 C\n0.012578 0.866624 0.209700 C\n0.133376 0.987422 0.290300 C\n0.486640 0.626392 0.315245 C\n0.208054 0.429064 0.388258 C\n0.719385 0.076667 0.618727 C\n0.791946 0.570936 0.611742 C\n0.866624 0.012578 0.709700 C\n0.923333 0.280615 0.881273 C\n0.645762 0.638649 0.288415 C\n0.124915 0.177184 0.649172 C\n0.875085 0.822816 0.350828 C\n0.636702 0.984959 0.763091 C\n0.429064 0.208054 0.888258 C\n0.354238 0.361351 0.711585 C\n0.076667 0.719385 0.118727 C\n0.604187 0.199953 0.862334 C\n0.800047 0.395813 0.637666 C\n0.822816 0.875085 0.850828 C\n0.638649 0.645762 0.788415 C\n0.670796 0.758615 0.042630 N\n0.598825 0.223260 0.924183 N\n0.516183 0.786875 0.816645 N\n0.999166 0.052762 0.322696 N\n0.962523 0.221305 0.958203 N\n0.068733 0.263524 0.095929 N\n0.893015 0.655849 0.265706 N\n0.463204 0.497033 0.639053 N\n0.931267 0.736476 0.904071 N\n0.213125 0.483817 0.683355 N\n0.536796 0.502967 0.360947 N\n0.786875 0.516183 0.316645 N\n0.106985 0.344151 0.734294 N\n0.344151 0.106985 0.234294 N\n0.758615 0.670796 0.542630 N\n0.223260 0.598825 0.424183 N\n0.221305 0.962523 0.458203 N\n0.000834 0.947238 0.677304 N\n0.947238 0.000834 0.177304 N\n0.052762 0.999166 0.822696 N\n0.778695 0.037477 0.541797 N\n0.497033 0.463204 0.139053 N\n0.263524 0.068733 0.595929 N\n0.329204 0.241385 0.957370 N\n0.037477 0.778695 0.041797 N\n0.655849 0.893015 0.765706 N\n0.241385 0.329204 0.457370 N\n0.401175 0.776740 0.075817 N\n0.776740 0.401175 0.575817 N\n0.502967 0.536796 0.860947 N\n0.483817 0.213125 0.183355 N\n0.736476 0.931267 0.404071 N\n","nsites":84,"nelements":4,"elements":["Tl","Mo","C","N"],"chemical_system":"C-Mo-N-Tl","density":4.6511814911506155,"density_atomic":0.0524433808545272,"volume":1601.7273987923809,"volume_molar":11.483128398424252,"formula_full":"Tl16 Mo4 C32 N32","formula_reduced":"Tl4Mo(CN)8","formula_anonymous":"AB4C8D8","energy":-631.09970952,"energy_per_atom":-7.513091780000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-619.54770952,"band_gap":2.1969,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":4.71e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:36:51.125000Z","spacegroup":15},{"id":"mp-1309972","created_at":"2022-09-04T14:45:07.284250Z","structure_string":"Li6 Y2 Ni4 O12\n1.0\n-5.276322 0.000300 -0.125576\n1.896490 -0.000722 9.943128\n-2.638424 4.626100 -0.063067\nLi Y Ni O\n6 2 4 12\ndirect\n0.750631 0.250135 0.998117 Li\n0.251400 0.749919 0.997670 Li\n0.034028 0.250348 0.389000 Li\n0.577527 0.749729 0.388796 Li\n0.465856 0.249566 0.611032 Li\n0.922703 0.750482 0.611512 Li\n0.002909 0.000077 0.994590 Y\n0.496861 0.500042 0.005892 Y\n0.164503 0.500151 0.670535 Ni\n0.832280 0.500066 0.335081 Ni\n0.667513 0.999935 0.665335 Ni\n0.335290 0.999721 0.329638 Ni\n0.071303 0.384797 0.031564 O\n0.603522 0.884642 0.968341 O\n0.428548 0.115122 0.968664 O\n0.896716 0.615347 0.031677 O\n0.020438 0.116660 0.647551 O\n0.567841 0.611438 0.625380 O\n0.693031 0.111112 0.375543 O\n0.167601 0.616769 0.352879 O\n0.479132 0.383361 0.352850 O\n0.931637 0.888737 0.375279 O\n0.806536 0.388674 0.625229 O\n0.332197 0.883172 0.647847 O\n","nsites":24,"nelements":4,"elements":["Li","Y","Ni","O"],"chemical_system":"Li-Ni-O-Y","density":4.441738017848545,"density_atomic":0.09934177907052791,"volume":241.59019724179842,"volume_molar":6.06204239177614,"formula_full":"Li6 Y2 Ni4 O12","formula_reduced":"Li3Y(NiO3)2","formula_anonymous":"AB2C3D6","energy":-155.33146652,"energy_per_atom":-6.472144438333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-136.92346652,"band_gap":0.7283,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.9969957,"is_theoretical":true,"updated_at":"2021-11-28T01:36:51.295000Z","spacegroup":15},{"id":"mp-1202286","created_at":"2022-09-04T14:44:59.491146Z","structure_string":"Na4 Sb8 O8 F24\n1.0\n9.232346 0.000000 0.000000\n0.000000 6.139910 0.000000\n0.000000 4.233197 13.602283\nNa Sb O F\n4 8 8 24\ndirect\n0.543909 0.846679 0.901068 Na\n0.043909 0.153321 0.598932 Na\n0.456091 0.153321 0.098932 Na\n0.956091 0.846679 0.401068 Na\n0.842605 0.180193 0.949050 Sb\n0.342605 0.819807 0.550950 Sb\n0.157395 0.819807 0.050950 Sb\n0.657395 0.180193 0.449050 Sb\n0.853244 0.553729 0.701337 Sb\n0.353244 0.446271 0.798663 Sb\n0.146756 0.446271 0.298663 Sb\n0.646756 0.553729 0.201337 Sb\n0.821655 0.472472 0.846261 O\n0.321655 0.527528 0.653739 O\n0.178345 0.527528 0.153739 O\n0.678345 0.472472 0.346261 O\n0.884874 0.860766 0.681928 O\n0.384874 0.139234 0.818072 O\n0.115126 0.139234 0.318072 O\n0.615126 0.860766 0.181928 O\n0.802988 0.971643 0.874817 F\n0.302988 0.028357 0.625183 F\n0.197012 0.028357 0.125183 F\n0.697012 0.971643 0.374817 F\n0.924172 0.880568 0.062117 F\n0.424172 0.119432 0.437883 F\n0.075828 0.119432 0.937883 F\n0.575828 0.880568 0.562117 F\n0.635480 0.141060 0.983949 F\n0.135480 0.858940 0.516051 F\n0.364520 0.858940 0.016051 F\n0.864520 0.141060 0.483949 F\n0.882941 0.556988 0.563244 F\n0.382941 0.443012 0.936756 F\n0.117059 0.443012 0.436756 F\n0.617059 0.556988 0.063244 F\n0.676482 0.399637 0.689324 F\n0.176482 0.600363 0.810676 F\n0.323518 0.600363 0.310676 F\n0.823518 0.399637 0.189324 F\n0.999085 0.315166 0.725294 F\n0.499085 0.684834 0.774706 F\n0.000915 0.684834 0.274706 F\n0.500915 0.315166 0.225294 F\n","nsites":44,"nelements":4,"elements":["Na","Sb","O","F"],"chemical_system":"F-Na-O-Sb","density":3.553416323996051,"density_atomic":0.05706460203710411,"volume":771.0559336134625,"volume_molar":10.553198559212472,"formula_full":"Na4 Sb8 O8 F24","formula_reduced":"NaSb2(OF3)2","formula_anonymous":"AB2C2D6","energy":-225.65275393,"energy_per_atom":-5.128471680227272,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-209.06875393000004,"band_gap":0.3018,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0018247,"is_theoretical":true,"updated_at":"2021-11-28T01:36:46.731000Z","spacegroup":14},{"id":"mp-1211908","created_at":"2022-09-04T14:45:08.936880Z","structure_string":"K4 Co1 P6 O25\n1.0\n0.000000 5.940779 11.539255\n4.419458 0.000000 11.539255\n4.419458 5.940779 0.000000\nK Co P O\n4 1 6 25\ndirect\n0.498088 0.277414 0.722586 K\n0.722586 0.501912 0.498088 K\n0.029322 0.470678 0.029322 K\n0.529322 0.970678 0.529322 K\n0.000770 0.999230 0.000770 Co\n0.506316 0.963415 0.036585 P\n0.036585 0.493684 0.506316 P\n0.280964 0.976889 0.360131 P\n0.360131 0.382016 0.280964 P\n0.023111 0.719036 0.617984 P\n0.617984 0.639869 0.023111 P\n0.367910 0.910862 0.514264 O\n0.514264 0.206964 0.367910 O\n0.089138 0.632090 0.793036 O\n0.793036 0.485736 0.089138 O\n0.084977 0.069832 0.930168 O\n0.930168 0.915023 0.084977 O\n0.072057 0.110753 0.427936 O\n0.427936 0.389253 0.072057 O\n0.889247 0.927943 0.610747 O\n0.610747 0.572064 0.889247 O\n0.064233 0.935767 0.751083 O\n0.751083 0.248917 0.064233 O\n0.444713 0.102790 0.897210 O\n0.897210 0.555287 0.444714 O\n0.421496 0.780127 0.219873 O\n0.219873 0.578504 0.421496 O\n0.301447 0.077837 0.207099 O\n0.207099 0.413617 0.301447 O\n0.922163 0.698553 0.586383 O\n0.586383 0.792901 0.922163 O\n0.517986 0.482014 0.517986 O\n0.646684 0.868920 0.131080 O\n0.131080 0.353316 0.646684 O\n0.937145 0.062855 0.254085 O\n0.254085 0.745915 0.937145 O\n","nsites":36,"nelements":4,"elements":["K","Co","P","O"],"chemical_system":"Co-K-O-P","density":2.1955579826728426,"density_atomic":0.059413115534982075,"volume":605.9268172665246,"volume_molar":10.136046066216137,"formula_full":"K4 Co1 P6 O25","formula_reduced":"K4CoP6O25","formula_anonymous":"AB4C6D25","energy":-232.52048754,"energy_per_atom":-6.458902431666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-213.70748754,"band_gap":0.0619,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":12.9979928,"is_theoretical":true,"updated_at":"2021-11-28T01:36:56.135000Z","spacegroup":42},{"id":"mp-805339","created_at":"2022-09-04T14:44:55.321632Z","structure_string":"Mn2 P2 H2 O10\n1.0\n5.097428 0.000000 0.000000\n-0.698426 5.143288 0.000000\n-2.010696 -2.699779 6.355364\nMn P H O\n2 2 2 10\ndirect\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.092184 0.417645 0.231355 P\n0.907816 0.582355 0.768645 P\n0.312592 0.628525 0.337167 H\n0.687408 0.371475 0.662833 H\n0.411163 0.224486 0.727474 O\n0.888914 0.414004 0.391066 O\n0.045281 0.004644 0.657042 O\n0.568772 0.705956 0.065620 O\n0.982072 0.548245 0.125018 O\n0.017928 0.451755 0.874982 O\n0.431228 0.294044 0.934380 O\n0.954719 0.995356 0.342958 O\n0.111086 0.585996 0.608934 O\n0.588837 0.775514 0.272526 O\n","nsites":16,"nelements":4,"elements":["Mn","P","H","O"],"chemical_system":"H-Mn-O-P","density":3.3269527437832935,"density_atomic":0.09602572823614879,"volume":166.62201155769853,"volume_molar":6.271382545717547,"formula_full":"Mn2 P2 H2 O10","formula_reduced":"MnPHO5","formula_anonymous":"ABCD5","energy":-71.25330372,"energy_per_atom":-4.4533314825,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-65.94930372,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.9843325,"is_theoretical":true,"updated_at":"2021-11-28T01:36:45.369000Z","spacegroup":2}]}