{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=is_magnetic&page=2","previous":null,"results":[{"id":"mp-643431","created_at":"2022-09-04T14:47:55.003434Z","structure_string":"Ag1 H4 W1 S4 N1\n1.0\n-4.076157 4.076157 2.959975\n4.076157 -4.076157 2.959975\n4.076157 4.076157 -2.959975\nAg H W S N\n1 4 1 4 1\ndirect\n0.750000 0.250000 0.500000 Ag\n0.702766 0.616000 0.119508 H\n0.496492 0.583258 0.880492 H\n0.416742 0.297234 0.913235 H\n0.384000 0.503508 0.086765 H\n0.250000 0.750000 0.500000 W\n0.926104 0.742081 0.576789 S\n0.165292 0.349315 0.423211 S\n0.650685 0.073896 0.815977 S\n0.257919 0.834708 0.184023 S\n0.500000 0.500000 0.000000 N\n","nsites":11,"nelements":5,"elements":["Ag","H","W","S","N"],"chemical_system":"Ag-H-N-S-W","density":3.6972598170314583,"density_atomic":0.05591686883794122,"volume":196.72060021601533,"volume_molar":10.769810408113916,"formula_full":"Ag1 H4 W1 S4 N1","formula_reduced":"AgH4WS4N","formula_anonymous":"ABCD4E4","energy":-60.83232265999999,"energy_per_atom":-5.53021115090909,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-58.45932266,"band_gap":1.7101,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002902,"is_theoretical":false,"updated_at":"2021-11-28T01:38:11.684000Z","spacegroup":82},{"id":"mp-1196002","created_at":"2022-09-04T14:47:54.914144Z","structure_string":"Mg16 Si16 O48\n1.0\n8.940908 0.000000 0.000000\n0.000000 5.263367 0.000000\n0.000000 0.185567 18.622768\nMg Si O\n16 16 48\ndirect\n0.398793 0.750000 0.000000 Mg\n0.601207 0.250000 0.000000 Mg\n0.245330 0.250000 0.000000 Mg\n0.754670 0.750000 0.000000 Mg\n0.901405 0.819263 0.251142 Mg\n0.901405 0.680737 0.748858 Mg\n0.098595 0.180737 0.748858 Mg\n0.098595 0.319263 0.251142 Mg\n0.259957 0.820008 0.249432 Mg\n0.259957 0.679992 0.750568 Mg\n0.740043 0.179992 0.750568 Mg\n0.740043 0.320008 0.249432 Mg\n0.598595 0.250000 0.500000 Mg\n0.401405 0.750000 0.500000 Mg\n0.241456 0.250000 0.500000 Mg\n0.758544 0.750000 0.500000 Mg\n0.912225 0.029757 0.896223 Si\n0.912225 0.470243 0.103777 Si\n0.087775 0.970243 0.103777 Si\n0.087775 0.529757 0.896223 Si\n0.411792 0.090337 0.850815 Si\n0.411792 0.409663 0.149185 Si\n0.588208 0.909663 0.149185 Si\n0.588208 0.590337 0.850815 Si\n0.910433 0.153674 0.398847 Si\n0.910433 0.346326 0.601153 Si\n0.089567 0.846326 0.601153 Si\n0.089567 0.653674 0.398847 Si\n0.588709 0.605557 0.352550 Si\n0.588709 0.894443 0.647450 Si\n0.411291 0.394443 0.647450 Si\n0.411291 0.105557 0.352550 Si\n0.911747 0.023170 0.808340 O\n0.911747 0.476830 0.191660 O\n0.088253 0.976830 0.191660 O\n0.088253 0.523170 0.808340 O\n0.758804 0.068214 0.939185 O\n0.758804 0.431786 0.060815 O\n0.241196 0.931786 0.060815 O\n0.241196 0.568214 0.939185 O\n0.040165 0.236124 0.923933 O\n0.040165 0.263876 0.076067 O\n0.959835 0.763876 0.076067 O\n0.959835 0.736124 0.923933 O\n0.409789 0.081349 0.938901 O\n0.409789 0.418651 0.061099 O\n0.590211 0.918651 0.061099 O\n0.590211 0.581349 0.938901 O\n0.263089 0.997812 0.809266 O\n0.263089 0.502188 0.190734 O\n0.736911 0.002188 0.190734 O\n0.736911 0.497812 0.809266 O\n0.547259 0.888710 0.824085 O\n0.547259 0.611290 0.175915 O\n0.452741 0.111290 0.175915 O\n0.452741 0.388710 0.824085 O\n0.907667 0.150358 0.310962 O\n0.907667 0.349642 0.689038 O\n0.092333 0.849642 0.689038 O\n0.092333 0.650358 0.310962 O\n0.758967 0.068045 0.439742 O\n0.758967 0.431955 0.560258 O\n0.241033 0.931955 0.560258 O\n0.241033 0.568045 0.439742 O\n0.041705 0.944568 0.426245 O\n0.041705 0.555432 0.573755 O\n0.958295 0.055432 0.573755 O\n0.958295 0.444568 0.426245 O\n0.587754 0.593667 0.440315 O\n0.587754 0.906333 0.559685 O\n0.412246 0.406333 0.559685 O\n0.412246 0.093667 0.440315 O\n0.744918 0.638390 0.311657 O\n0.744918 0.861610 0.688343 O\n0.255082 0.361610 0.688343 O\n0.255082 0.138390 0.311657 O\n0.537222 0.316656 0.323155 O\n0.537222 0.183344 0.676845 O\n0.462778 0.683344 0.676845 O\n0.462778 0.816656 0.323155 O\n","nsites":80,"nelements":3,"elements":["Mg","Si","O"],"chemical_system":"Mg-O-Si","density":3.0434375746944013,"density_atomic":0.09128522172025572,"volume":876.3740558702989,"volume_molar":6.597059903578805,"formula_full":"Mg16 Si16 O48","formula_reduced":"MgSiO3","formula_anonymous":"ABC3","energy":-607.53063527,"energy_per_atom":-7.594132940874999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-574.55463527,"band_gap":4.5845,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":2.01e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:39:33.078000Z","spacegroup":13},{"id":"mp-1343327","created_at":"2022-09-04T14:47:54.444502Z","structure_string":"Al6 Ag6 O18\n1.0\n3.024734 -5.238993 0.000000\n3.024734 5.238993 0.000000\n0.000000 0.000000 10.846984\nAl Ag O\n6 6 18\ndirect\n0.666667 0.333333 0.242833 Al\n0.333333 0.666667 0.742833 Al\n0.666667 0.333333 0.742833 Al\n0.333333 0.666667 0.242833 Al\n0.000000 0.000000 0.744297 Al\n0.000000 0.000000 0.244297 Al\n0.674205 0.000000 0.497132 Ag\n0.674205 0.674205 0.997132 Ag\n0.000000 0.325795 0.997132 Ag\n0.000000 0.674205 0.497132 Ag\n0.325795 0.325795 0.497132 Ag\n0.325795 0.000000 0.997132 Ag\n0.666667 0.333333 0.067496 O\n0.333333 0.666667 0.567496 O\n0.666667 0.333333 0.567496 O\n0.333333 0.666667 0.067496 O\n0.000000 0.000000 0.910699 O\n0.000000 0.000000 0.410699 O\n0.444993 0.000000 0.821347 O\n0.444993 0.444993 0.321347 O\n0.000000 0.555007 0.321347 O\n0.000000 0.444993 0.821347 O\n0.555007 0.555007 0.821347 O\n0.555007 0.000000 0.321347 O\n0.271573 0.000000 0.181303 O\n0.271573 0.271573 0.681303 O\n0.000000 0.728427 0.681303 O\n0.000000 0.271573 0.181303 O\n0.728427 0.728427 0.181303 O\n0.728427 0.000000 0.681303 O\n","nsites":30,"nelements":3,"elements":["Al","Ag","O"],"chemical_system":"Ag-Al-O","density":5.299274482147776,"density_atomic":0.08726643874889838,"volume":343.77477103566014,"volume_molar":6.900866869711721,"formula_full":"Al6 Ag6 O18","formula_reduced":"AlAgO3","formula_anonymous":"ABC3","energy":-177.22087472,"energy_per_atom":-5.907362490666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-164.85487472,"band_gap":0.0480999999999998,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":4.81e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:38:20.928000Z","spacegroup":185},{"id":"mp-1097873","created_at":"2022-09-04T14:47:54.885908Z","structure_string":"Nd1 B4\n1.0\n3.301189 2.806126 0.000000\n-3.301189 2.806126 0.000000\n0.000000 2.683898 3.300401\nNd B\n1 4\ndirect\n0.000000 0.000000 0.000000 Nd\n0.761893 0.498889 0.736088 B\n0.501111 0.238107 0.263912 B\n0.238107 0.501111 0.263912 B\n0.498889 0.761893 0.736088 B\n","nsites":5,"nelements":2,"elements":["Nd","B"],"chemical_system":"B-Nd","density":5.091475734141467,"density_atomic":0.08177032833843657,"volume":61.14687444210401,"volume_molar":7.364701698487936,"formula_full":"Nd1 B4","formula_reduced":"NdB4","formula_anonymous":"AB4","energy":-30.3335038,"energy_per_atom":-6.06670076,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-30.3335038,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0008364,"is_theoretical":true,"updated_at":"2021-11-28T01:38:25.499000Z","spacegroup":12},{"id":"mp-686004","created_at":"2022-09-04T14:47:54.907132Z","structure_string":"Li12 Sc4 Cl24\n1.0\n5.496007 3.191935 0.000000\n-5.496007 3.191935 0.000000\n0.000000 2.265727 24.165738\nLi Sc Cl\n12 4 24\ndirect\n0.083053 0.166946 0.624993 Li\n0.833054 0.916947 0.375007 Li\n0.583234 0.664550 0.124992 Li\n0.416652 0.833353 0.624998 Li\n0.335450 0.416766 0.875008 Li\n0.706678 0.792084 0.750004 Li\n0.166647 0.583348 0.375002 Li\n0.624559 0.375441 0.000000 Li\n0.457067 0.542933 0.500000 Li\n0.916695 0.335742 0.125065 Li\n0.207916 0.293322 0.249996 Li\n0.664258 0.083305 0.874935 Li\n0.751855 0.498169 0.625012 Sc\n0.501831 0.248145 0.374988 Sc\n0.247802 0.996048 0.124993 Sc\n0.003952 0.752198 0.875007 Sc\n0.417697 0.490517 0.684424 Cl\n0.698388 0.457345 0.816625 Cl\n0.167814 0.240592 0.434438 Cl\n0.008376 0.084563 0.816124 Cl\n0.444857 0.204567 0.567241 Cl\n0.915437 0.991624 0.183876 Cl\n0.759408 0.832186 0.565562 Cl\n0.730517 0.150429 0.682806 Cl\n0.194678 0.954468 0.317248 Cl\n0.045532 0.805322 0.682752 Cl\n0.658283 0.721466 0.934424 Cl\n0.509483 0.582303 0.315576 Cl\n0.480511 0.900509 0.432786 Cl\n0.348622 0.767456 0.817180 Cl\n0.939594 0.690631 0.068261 Cl\n0.795433 0.555143 0.432759 Cl\n0.278534 0.341717 0.065576 Cl\n0.232544 0.651378 0.182820 Cl\n0.099491 0.519489 0.567214 Cl\n0.542655 0.301612 0.183375 Cl\n0.970751 0.405250 0.933871 Cl\n0.849571 0.269483 0.317194 Cl\n0.309369 0.060406 0.931739 Cl\n0.594750 0.029249 0.066129 Cl\n","nsites":40,"nelements":3,"elements":["Li","Sc","Cl"],"chemical_system":"Cl-Li-Sc","density":2.1817154064214686,"density_atomic":0.047176814945334516,"volume":847.8741103304546,"volume_molar":12.765043097924421,"formula_full":"Li12 Sc4 Cl24","formula_reduced":"Li3ScCl6","formula_anonymous":"AB3C6","energy":-184.65713226,"energy_per_atom":-4.6164283065,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-169.92113226,"band_gap":3.6981,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002148,"is_theoretical":true,"updated_at":"2021-11-28T01:39:15.532000Z","spacegroup":5},{"id":"mp-1201687","created_at":"2022-09-04T14:47:54.913554Z","structure_string":"Rb4 Nb12 Te8 O48\n1.0\n4.116858 0.000000 0.000000\n0.000000 15.239820 0.000000\n0.000000 0.000000 17.828331\nRb Nb Te O\n4 12 8 48\ndirect\n0.219386 0.074026 0.750000 Rb\n0.780614 0.925974 0.250000 Rb\n0.219386 0.425974 0.250000 Rb\n0.780614 0.574026 0.750000 Rb\n0.240176 0.793141 0.750000 Nb\n0.759824 0.206859 0.250000 Nb\n0.240176 0.706859 0.250000 Nb\n0.759824 0.293141 0.750000 Nb\n0.765554 0.150782 0.569418 Nb\n0.234446 0.849218 0.069418 Nb\n0.765554 0.349218 0.430582 Nb\n0.234446 0.650782 0.930582 Nb\n0.234446 0.849218 0.430582 Nb\n0.765554 0.150782 0.930582 Nb\n0.234446 0.650782 0.569418 Nb\n0.765554 0.349218 0.069418 Nb\n0.613574 0.913730 0.596769 Te\n0.386426 0.086270 0.096769 Te\n0.613574 0.586270 0.403231 Te\n0.386426 0.413730 0.903231 Te\n0.386426 0.086270 0.403231 Te\n0.613574 0.913730 0.903231 Te\n0.386426 0.413730 0.596769 Te\n0.613574 0.586270 0.096769 Te\n0.284769 0.932012 0.523219 O\n0.715231 0.067988 0.023219 O\n0.284769 0.567988 0.476781 O\n0.715231 0.432012 0.976781 O\n0.715231 0.067988 0.476781 O\n0.284769 0.932012 0.976781 O\n0.715231 0.432012 0.523219 O\n0.284769 0.567988 0.023219 O\n0.698511 0.030946 0.627341 O\n0.301489 0.969054 0.127341 O\n0.698511 0.469054 0.372659 O\n0.301489 0.530946 0.872659 O\n0.301489 0.969054 0.372659 O\n0.698511 0.030946 0.872659 O\n0.301489 0.530946 0.627341 O\n0.698511 0.469054 0.127341 O\n0.296517 0.895014 0.673409 O\n0.703483 0.104986 0.173409 O\n0.296517 0.604986 0.326591 O\n0.703483 0.395014 0.826591 O\n0.703483 0.104986 0.326591 O\n0.296517 0.895014 0.826591 O\n0.703483 0.395014 0.673409 O\n0.296517 0.604986 0.173409 O\n0.293046 0.707751 0.667794 O\n0.706954 0.292249 0.167794 O\n0.293046 0.792249 0.332206 O\n0.706954 0.207751 0.832206 O\n0.706954 0.292249 0.332206 O\n0.293046 0.707751 0.832206 O\n0.706954 0.207751 0.667794 O\n0.293046 0.792249 0.167794 O\n0.795697 0.799288 0.750000 O\n0.204303 0.200712 0.250000 O\n0.795697 0.700712 0.250000 O\n0.204303 0.299288 0.750000 O\n0.703515 0.250000 0.500000 O\n0.296485 0.750000 0.000000 O\n0.296485 0.750000 0.500000 O\n0.703515 0.250000 0.000000 O\n0.207914 0.146852 0.567937 O\n0.792086 0.853148 0.067937 O\n0.207914 0.353148 0.432063 O\n0.792086 0.646852 0.932063 O\n0.792086 0.853148 0.432063 O\n0.207914 0.146852 0.932063 O\n0.792086 0.646852 0.567937 O\n0.207914 0.353148 0.067937 O\n","nsites":72,"nelements":4,"elements":["Rb","Nb","Te","O"],"chemical_system":"Nb-O-Rb-Te","density":4.8181113709505485,"density_atomic":0.06436889931445189,"volume":1118.5526048576505,"volume_molar":9.355668380440877,"formula_full":"Rb4 Nb12 Te8 O48","formula_reduced":"RbNb3(TeO6)2","formula_anonymous":"AB2C3D12","energy":-567.53275449,"energy_per_atom":-7.882399367916666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-534.55675449,"band_gap":2.4033,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002106,"is_theoretical":false,"updated_at":"2021-11-28T01:38:21.724000Z","spacegroup":57},{"id":"mp-1247219","created_at":"2022-09-04T14:47:54.901192Z","structure_string":"Co4 C6 N12\n1.0\n9.623960 -0.262956 -0.161663\n1.584537 5.033993 -0.000019\n-25.702841 8.090470 4.979325\nCo C N\n4 6 12\ndirect\n0.000045 0.999972 0.164874 Co\n0.999965 0.000025 0.664847 Co\n0.999957 0.000027 0.835146 Co\n0.000036 0.999975 0.335170 Co\n0.964432 0.678516 0.071486 C\n-0.000004 0.678531 0.750005 C\n0.035570 0.642961 0.428530 C\n0.964393 0.357062 0.571474 C\n0.035597 0.321480 0.928541 C\n0.000009 0.321455 0.250014 C\n0.871742 0.755871 0.084955 N\n0.139360 0.616533 0.840826 N\n0.988972 0.627577 0.457365 N\n0.871751 0.372390 0.584956 N\n0.988939 0.383470 0.957351 N\n0.139377 0.244122 0.340830 N\n0.128249 0.244125 0.915062 N\n0.860617 0.383486 0.159186 N\n0.011068 0.372404 0.542668 N\n0.128260 0.627595 0.415065 N\n0.011028 0.616548 0.042655 N\n0.860643 0.755875 0.659193 N\n","nsites":22,"nelements":3,"elements":["Co","C","N"],"chemical_system":"C-Co-N","density":3.5866692221166794,"density_atomic":0.09985500724943773,"volume":220.31944722655737,"volume_molar":6.0308851061987285,"formula_full":"Co4 C6 N12","formula_reduced":"Co2(CN2)3","formula_anonymous":"A2B3C6","energy":-182.02084789,"energy_per_atom":-8.273674904090909,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-177.68884789,"band_gap":0.8468,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":9e-07,"is_theoretical":true,"updated_at":"2021-11-28T01:38:20.711000Z","spacegroup":167},{"id":"mp-1194715","created_at":"2022-09-04T14:47:54.572475Z","structure_string":"As16 O24\n1.0\n4.683541 0.000000 0.000000\n0.000000 11.321039 0.000000\n0.000000 2.050974 13.697656\nAs O\n16 24\ndirect\n0.258619 0.595566 0.771802 As\n0.758619 0.404434 0.728198 As\n0.741381 0.404434 0.228198 As\n0.241381 0.595566 0.271802 As\n0.315691 0.660070 0.538737 As\n0.815691 0.339930 0.961263 As\n0.684309 0.339930 0.461263 As\n0.184309 0.660070 0.038737 As\n0.808894 0.908682 0.223064 As\n0.308894 0.091318 0.276936 As\n0.191106 0.091318 0.776936 As\n0.691106 0.908682 0.723064 As\n0.815923 0.842408 0.455619 As\n0.315923 0.157592 0.044381 As\n0.184077 0.157592 0.544381 As\n0.684077 0.842408 0.955619 As\n0.086651 0.488565 0.701836 O\n0.586651 0.511435 0.798164 O\n0.913349 0.511435 0.298164 O\n0.413349 0.488565 0.201836 O\n0.354290 0.698233 0.662983 O\n0.854290 0.301767 0.837017 O\n0.645710 0.301767 0.337017 O\n0.145710 0.698233 0.162983 O\n0.440612 0.806411 0.479620 O\n0.940612 0.193589 0.020380 O\n0.559388 0.193589 0.520380 O\n0.059388 0.806411 0.979620 O\n0.668919 0.030241 0.285263 O\n0.168919 0.969759 0.214737 O\n0.331081 0.969759 0.714737 O\n0.831081 0.030241 0.785263 O\n0.838521 0.798906 0.332687 O\n0.338521 0.201094 0.167313 O\n0.161479 0.201094 0.667313 O\n0.661479 0.798906 0.832687 O\n0.940426 0.698092 0.517809 O\n0.440426 0.301908 0.982191 O\n0.059574 0.301908 0.482191 O\n0.559574 0.698092 0.017809 O\n","nsites":40,"nelements":2,"elements":["As","O"],"chemical_system":"As-O","density":3.6186734404934224,"density_atomic":0.05507482465918604,"volume":726.2846545137083,"volume_molar":10.934471053273802,"formula_full":"As16 O24","formula_reduced":"As2O3","formula_anonymous":"A2B3","energy":-258.31458746,"energy_per_atom":-6.4578646865,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-241.82658746,"band_gap":3.6206,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":9.4e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:38:21.575000Z","spacegroup":14},{"id":"mp-559691","created_at":"2022-09-04T14:47:54.899716Z","structure_string":"Ca4 Al4 Si2 O14\n1.0\n7.676362 0.000000 0.000000\n0.000000 7.676362 0.000000\n0.000000 0.000000 5.190828\nCa Al Si O\n4 4 2 14\ndirect\n0.844402 0.344402 0.483863 Ca\n0.155598 0.655598 0.483863 Ca\n0.655598 0.844402 0.516137 Ca\n0.344402 0.155598 0.516137 Ca\n0.643940 0.143940 0.025427 Al\n0.356060 0.856060 0.025427 Al\n0.856060 0.643940 0.974573 Al\n0.143940 0.356060 0.974573 Al\n0.000000 0.000000 0.000000 Si\n0.500000 0.500000 0.000000 Si\n0.644498 0.144498 0.691929 O\n0.406852 0.651362 0.177933 O\n0.355502 0.855502 0.691929 O\n0.348638 0.406852 0.822067 O\n0.144498 0.355502 0.308071 O\n0.651362 0.593148 0.822067 O\n0.848638 0.093148 0.177933 O\n0.500000 0.000000 0.179495 O\n0.000000 0.500000 0.820505 O\n0.151362 0.906852 0.177933 O\n0.093148 0.151362 0.822067 O\n0.855502 0.644498 0.308071 O\n0.906852 0.848638 0.822067 O\n0.593148 0.348638 0.177933 O\n","nsites":24,"nelements":4,"elements":["Ca","Al","Si","O"],"chemical_system":"Al-Ca-O-Si","density":2.977142404655625,"density_atomic":0.07846278322156963,"volume":305.87750032046193,"volume_molar":7.675155676028195,"formula_full":"Ca4 Al4 Si2 O14","formula_reduced":"Ca2Al2SiO7","formula_anonymous":"AB2C2D7","energy":-185.7601962,"energy_per_atom":-7.740008175,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-176.1421962,"band_gap":4.284800000000001,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":2.11e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:39:11.864000Z","spacegroup":113},{"id":"mp-530303","created_at":"2022-09-04T14:47:54.903763Z","structure_string":"Mg8 Ga16 O32\n1.0\n2.989172 5.127635 0.000000\n-2.989172 5.127635 0.000000\n0.000000 3.373906 19.360927\nMg Ga O\n8 16 32\ndirect\n0.005742 0.005742 0.998780 Mg\n0.254911 0.254911 0.252327 Mg\n0.783327 0.783327 0.156553 Mg\n0.031657 0.031657 0.407577 Mg\n0.281280 0.281280 0.656373 Mg\n0.155776 0.155776 0.531795 Mg\n0.532786 0.532786 0.905298 Mg\n0.405982 0.405982 0.781382 Mg\n0.305821 0.305821 0.061575 Ga\n0.555560 0.555560 0.311615 Ga\n0.507173 0.507173 0.499705 Ga\n0.657229 0.657229 0.027978 Ga\n0.785067 0.271995 0.156664 Ga\n0.271995 0.785067 0.156664 Ga\n0.758020 0.758020 0.746327 Ga\n0.906694 0.906694 0.278423 Ga\n0.804652 0.804652 0.565329 Ga\n0.032599 0.526325 0.408022 Ga\n0.526325 0.032599 0.408022 Ga\n0.054942 0.054942 0.814722 Ga\n0.281441 0.780916 0.656517 Ga\n0.780916 0.281441 0.656517 Ga\n0.533665 0.027002 0.905352 Ga\n0.027002 0.533665 0.905352 Ga\n0.946400 0.473889 0.094545 O\n0.591377 0.591377 0.213246 O\n0.473889 0.946400 0.094545 O\n0.475200 0.475200 0.094883 O\n0.195908 0.724372 0.344611 O\n0.084473 0.084473 0.216747 O\n0.840217 0.840217 0.464392 O\n0.724372 0.195908 0.344611 O\n0.087807 0.623465 0.217545 O\n0.972487 0.972487 0.100657 O\n0.725446 0.725446 0.344723 O\n0.623465 0.087807 0.217545 O\n0.341920 0.341920 0.466930 O\n0.450235 0.968839 0.596813 O\n0.091105 0.091105 0.715072 O\n0.968839 0.450235 0.596813 O\n0.344153 0.858427 0.466842 O\n0.221741 0.221741 0.355003 O\n0.972435 0.972435 0.596921 O\n0.858427 0.344153 0.466842 O\n0.589570 0.589570 0.715328 O\n0.701018 0.217879 0.847041 O\n0.342011 0.342011 0.963986 O\n0.593566 0.113219 0.715476 O\n0.217879 0.701018 0.847041 O\n0.471356 0.471356 0.598471 O\n0.221770 0.221770 0.847453 O\n0.113219 0.593566 0.715476 O\n0.832418 0.832418 0.965053 O\n0.836909 0.378084 0.966004 O\n0.721739 0.721739 0.844511 O\n0.378084 0.836909 0.966004 O\n","nsites":56,"nelements":3,"elements":["Mg","Ga","O"],"chemical_system":"Ga-Mg-O","density":5.097657449446355,"density_atomic":0.09435477321136625,"volume":593.5046854975014,"volume_molar":6.382444210331223,"formula_full":"Mg8 Ga16 O32","formula_reduced":"Mg(GaO2)2","formula_anonymous":"AB2C4","energy":-361.2099744,"energy_per_atom":-6.450178114285714,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-339.2259744,"band_gap":2.2577,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002855,"is_theoretical":true,"updated_at":"2021-11-28T01:38:28.491000Z","spacegroup":8},{"id":"mp-1187301","created_at":"2022-09-04T14:47:54.874411Z","structure_string":"Tb3 Pr1\n1.0\n-2.553680 2.553680 5.078510\n2.553680 -2.553680 5.078510\n2.553680 2.553680 -5.078510\nTb Pr\n3 1\ndirect\n0.750000 0.250000 0.500000 Tb\n0.250000 0.750000 0.500000 Tb\n0.500000 0.500000 0.000000 Tb\n0.000000 0.000000 0.000000 Pr\n","nsites":4,"nelements":2,"elements":["Tb","Pr"],"chemical_system":"Pr-Tb","density":7.742585052095704,"density_atomic":0.030194701298483697,"volume":132.47357410357526,"volume_molar":19.944362755800523,"formula_full":"Tb3 Pr1","formula_reduced":"Tb3Pr","formula_anonymous":"AB3","energy":-18.59512834,"energy_per_atom":-4.648782085,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-18.59512834,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0024609,"is_theoretical":true,"updated_at":"2021-11-28T01:38:31.298000Z","spacegroup":139},{"id":"mp-1038429","created_at":"2022-09-04T14:47:54.955857Z","structure_string":"Mg30 B1 Sb1 O32\n1.0\n8.598369 0.000000 0.000000\n0.000000 8.598369 0.000000\n0.000000 0.000000 8.596392\nMg B Sb O\n30 1 1 32\ndirect\n0.500000 0.000000 0.000000 Mg\n0.000000 0.500000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.240559 0.240559 0.000000 Mg\n0.759441 0.240559 0.000000 Mg\n0.240559 0.759441 0.000000 Mg\n0.759441 0.759441 0.000000 Mg\n0.248318 0.248318 0.500000 Mg\n0.751682 0.248318 0.500000 Mg\n0.248318 0.751682 0.500000 Mg\n0.751682 0.751682 0.500000 Mg\n0.246484 0.000000 0.247996 Mg\n0.753516 0.000000 0.247996 Mg\n0.242816 0.500000 0.255396 Mg\n0.757184 0.500000 0.255396 Mg\n0.246484 0.000000 0.752004 Mg\n0.753516 0.000000 0.752004 Mg\n0.242816 0.500000 0.744604 Mg\n0.757184 0.500000 0.744604 Mg\n0.000000 0.246484 0.247996 Mg\n0.500000 0.242816 0.255396 Mg\n0.000000 0.753516 0.247996 Mg\n0.500000 0.757184 0.255396 Mg\n0.000000 0.246484 0.752004 Mg\n0.500000 0.242816 0.744604 Mg\n0.000000 0.753516 0.752004 Mg\n0.500000 0.757184 0.744604 Mg\n0.000000 0.000000 0.000000 B\n0.500000 0.500000 0.000000 Sb\n0.000000 0.000000 0.264667 O\n0.500000 0.000000 0.253372 O\n0.000000 0.500000 0.253372 O\n0.500000 0.500000 0.262743 O\n0.000000 0.000000 0.735333 O\n0.500000 0.000000 0.746628 O\n0.000000 0.500000 0.746628 O\n0.500000 0.500000 0.737257 O\n0.250824 0.250824 0.248716 O\n0.749176 0.250824 0.248716 O\n0.250824 0.749176 0.248716 O\n0.749176 0.749176 0.248716 O\n0.250824 0.250824 0.751284 O\n0.749176 0.250824 0.751284 O\n0.250824 0.749176 0.751284 O\n0.749176 0.749176 0.751284 O\n0.264029 0.000000 0.000000 O\n0.735971 0.000000 0.000000 O\n0.239431 0.500000 0.000000 O\n0.760569 0.500000 0.000000 O\n0.252171 0.000000 0.500000 O\n0.747829 0.000000 0.500000 O\n0.249561 0.500000 0.500000 O\n0.750439 0.500000 0.500000 O\n0.000000 0.264029 0.000000 O\n0.500000 0.239431 0.000000 O\n0.000000 0.735971 0.000000 O\n0.500000 0.760569 0.000000 O\n0.000000 0.252171 0.500000 O\n0.500000 0.249561 0.500000 O\n0.000000 0.747829 0.500000 O\n0.500000 0.750439 0.500000 O\n","nsites":64,"nelements":4,"elements":["Mg","B","Sb","O"],"chemical_system":"B-Mg-O-Sb","density":3.5891631111764086,"density_atomic":0.10070049484602077,"volume":635.5480188837323,"volume_molar":5.980249421026522,"formula_full":"Mg30 B1 Sb1 O32","formula_reduced":"Mg30BSbO32","formula_anonymous":"ABC30D32","energy":-398.33204962,"energy_per_atom":-6.2239382753125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-376.34804962,"band_gap":2.2125999999999992,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0042887,"is_theoretical":true,"updated_at":"2021-11-28T01:38:20.087000Z","spacegroup":123}]}