{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=nsites&page=10128","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=nsites&page=10126","results":[{"id":"mp-1221604","created_at":"2022-09-04T14:45:41.731173Z","structure_string":"Na4 Ca2 Mn2 Al4 P4 H4 O20 F8\n1.0\n5.254078 0.035879 5.134837\n-5.237324 -7.217454 1.780202\n5.211671 -7.217452 -1.854034\nNa Ca Mn Al P H O F\n4 2 2 4 4 4 20 8\ndirect\n0.962640 0.621080 0.132620 Na\n0.962640 0.121080 0.632620 Na\n0.037360 0.878920 0.367380 Na\n0.037360 0.378920 0.867380 Na\n0.500000 0.250000 0.250000 Ca\n0.500000 0.750000 0.750000 Ca\n0.500000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.000000 0.250000 0.250000 Al\n0.000000 0.750000 0.750000 Al\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.500000 Al\n0.362370 0.079530 0.678758 P\n0.362370 0.579530 0.178758 P\n0.637630 0.420470 0.821242 P\n0.637630 0.920470 0.321242 P\n0.769291 0.271540 0.478694 H\n0.769291 0.771540 0.978694 H\n0.230709 0.228460 0.021306 H\n0.230709 0.728460 0.521306 H\n0.919308 0.817928 0.931100 O\n0.919308 0.317928 0.431100 O\n0.080692 0.682072 0.568900 O\n0.080692 0.182072 0.068900 O\n0.505106 0.512655 0.253731 O\n0.505106 0.012655 0.753731 O\n0.494894 0.987345 0.246269 O\n0.494894 0.487345 0.746269 O\n0.232766 0.945678 0.631583 O\n0.232766 0.445678 0.131583 O\n0.782093 0.378354 0.696158 O\n0.782093 0.878354 0.196158 O\n0.767234 0.554322 0.868417 O\n0.767234 0.054322 0.368417 O\n0.217907 0.121646 0.803842 O\n0.217907 0.621646 0.303842 O\n0.485534 0.236955 0.523126 O\n0.485534 0.736955 0.023126 O\n0.514466 0.263045 0.976874 O\n0.514466 0.763045 0.476874 O\n0.152108 0.151728 0.346509 F\n0.152108 0.651728 0.846509 F\n0.834792 0.089062 0.908022 F\n0.834792 0.589062 0.408022 F\n0.847892 0.348272 0.153491 F\n0.847892 0.848272 0.653491 F\n0.165208 0.410938 0.591978 F\n0.165208 0.910938 0.091978 F\n","nsites":48,"nelements":8,"elements":["Na","Ca","Mn","Al","P","H","O","F"],"chemical_system":"Al-Ca-F-H-Mn-Na-O-P","density":3.1304746232350738,"density_atomic":0.09142108803136408,"volume":525.0429745873569,"volume_molar":6.587255620862845,"formula_full":"Na4 Ca2 Mn2 Al4 P4 H4 O20 F8","formula_reduced":"Na2CaMnAl2P2H2(O5F2)2","formula_anonymous":"ABC2D2E2F2G4H10","energy":-332.96917318,"energy_per_atom":-6.936857774583333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-312.19717318,"band_gap":4.3124,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":10.0000034,"is_theoretical":true,"updated_at":"2021-11-28T01:37:17.004000Z","spacegroup":2},{"id":"mp-759718","created_at":"2022-09-04T14:45:41.097508Z","structure_string":"Ba10 Mn10 O28\n1.0\n2.899880 -4.991603 0.000000\n2.899880 4.991603 0.000000\n0.000000 0.000000 23.930859\nBa Mn O\n10 10 28\ndirect\n0.337043 0.669159 0.045999 Ba\n0.331620 0.663055 0.639057 Ba\n0.003122 0.004894 0.750000 Ba\n0.331620 0.663055 0.860943 Ba\n0.004894 0.003122 0.250000 Ba\n0.337043 0.669159 0.454001 Ba\n0.669159 0.337043 0.954001 Ba\n0.669159 0.337043 0.545999 Ba\n0.663055 0.331620 0.139057 Ba\n0.663055 0.331620 0.360943 Ba\n0.345786 0.672536 0.191927 Mn\n0.010656 0.010656 0.500000 Mn\n0.002267 0.004400 0.607379 Mn\n0.002267 0.004400 0.892621 Mn\n0.010656 0.010656 0.000000 Mn\n0.004400 0.002267 0.107379 Mn\n0.004400 0.002267 0.392621 Mn\n0.345786 0.672536 0.308073 Mn\n0.672536 0.345786 0.691927 Mn\n0.672536 0.345786 0.808073 Mn\n0.155484 0.309504 0.551265 O\n0.155484 0.309504 0.948735 O\n0.154284 0.330273 0.152415 O\n0.939440 0.445057 0.750000 O\n0.154284 0.330273 0.347585 O\n0.153770 0.823472 0.152265 O\n0.154570 0.861400 0.947741 O\n0.153770 0.823472 0.347735 O\n0.154570 0.861400 0.552259 O\n0.330273 0.154284 0.847585 O\n0.330273 0.154284 0.652415 O\n0.309504 0.155484 0.051265 O\n0.309504 0.155484 0.448735 O\n0.445057 0.939440 0.250000 O\n0.712529 0.863451 0.551400 O\n0.683019 0.841734 0.148499 O\n0.712529 0.863451 0.948600 O\n0.683019 0.841734 0.351501 O\n0.823472 0.153770 0.652265 O\n0.446175 0.504776 0.250000 O\n0.504776 0.446175 0.750000 O\n0.823472 0.153770 0.847735 O\n0.861400 0.154570 0.447741 O\n0.861400 0.154570 0.052259 O\n0.841734 0.683019 0.648499 O\n0.863451 0.712529 0.448600 O\n0.841734 0.683019 0.851501 O\n0.863451 0.712529 0.051400 O\n","nsites":48,"nelements":3,"elements":["Ba","Mn","O"],"chemical_system":"Ba-Mn-O","density":5.682051880941094,"density_atomic":0.0692839899465193,"volume":692.800747143048,"volume_molar":8.691965870684589,"formula_full":"Ba10 Mn10 O28","formula_reduced":"Ba5Mn5O14","formula_anonymous":"A5B5C14","energy":-368.97394668,"energy_per_atom":-7.686957222499999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-333.05794668,"band_gap":0.7272999999999996,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":34.0000023,"is_theoretical":true,"updated_at":"2021-11-28T01:37:13.750000Z","spacegroup":40},{"id":"mp-768624","created_at":"2022-09-04T14:45:40.183169Z","structure_string":"Li8 Fe4 P4 C4 O28\n1.0\n5.090515 0.000000 0.000000\n-0.026379 6.510671 0.000000\n-1.409281 -0.163092 16.569408\nLi Fe P C O\n8 4 4 4 28\ndirect\n0.760863 0.735925 0.951336 Li\n0.247828 0.968459 0.862195 Li\n0.750333 0.033026 0.636890 Li\n0.238418 0.250366 0.548383 Li\n0.762003 0.754683 0.451730 Li\n0.248181 0.533855 0.361973 Li\n0.753147 0.031180 0.138247 Li\n0.240541 0.268419 0.047438 Li\n0.798487 0.261726 0.834488 Fe\n0.201292 0.742619 0.665328 Fe\n0.799244 0.239348 0.334921 Fe\n0.199744 0.734187 0.165348 Fe\n0.722051 0.760488 0.789835 P\n0.277816 0.243032 0.710117 P\n0.722179 0.748063 0.290388 P\n0.277480 0.245932 0.209744 P\n0.703279 0.232479 0.979828 C\n0.297884 0.748350 0.519993 C\n0.702983 0.252436 0.479955 C\n0.296666 0.769554 0.020420 C\n0.948307 0.250593 0.961749 O\n0.365695 0.782282 0.948828 O\n0.526480 0.236040 0.917619 O\n0.824410 0.936165 0.848758 O\n0.784106 0.563866 0.839346 O\n0.144652 0.233009 0.789984 O\n0.418537 0.782772 0.769740 O\n0.581138 0.218660 0.730131 O\n0.855274 0.769516 0.709939 O\n0.217776 0.440020 0.660813 O\n0.173620 0.067610 0.651086 O\n0.473479 0.774287 0.581906 O\n0.633291 0.223829 0.550693 O\n0.051908 0.743961 0.538583 O\n0.949005 0.250795 0.461670 O\n0.366654 0.724109 0.449070 O\n0.528078 0.279506 0.418418 O\n0.781157 0.935600 0.347614 O\n0.828256 0.563684 0.342074 O\n0.145564 0.272691 0.289404 O\n0.419072 0.721352 0.269942 O\n0.580588 0.222529 0.230260 O\n0.854062 0.770606 0.210715 O\n0.217826 0.430754 0.152525 O\n0.171963 0.058595 0.158285 O\n0.472552 0.769186 0.082795 O\n0.634901 0.215308 0.051234 O\n0.051227 0.752519 0.038259 O\n","nsites":48,"nelements":5,"elements":["Li","Fe","P","C","O"],"chemical_system":"C-Fe-Li-O-P","density":2.7178891088430652,"density_atomic":0.0874071125792819,"volume":549.1543946891278,"volume_molar":6.889760549563592,"formula_full":"Li8 Fe4 P4 C4 O28","formula_reduced":"Li2FePCO7","formula_anonymous":"ABCD2E7","energy":-356.19247093,"energy_per_atom":-7.420676477708334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-327.93247093,"band_gap":2.4418,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":20.0000001,"is_theoretical":true,"updated_at":"2021-11-28T01:37:15.582000Z","spacegroup":1},{"id":"mp-767960","created_at":"2022-09-04T14:46:00.825645Z","structure_string":"Na8 Fe4 P4 C4 O28\n1.0\n6.561097 0.000000 0.000000\n0.000000 5.209289 0.000000\n0.000000 0.093222 17.820373\nNa Fe P C O\n8 4 4 4 28\ndirect\n0.244108 0.765020 0.790387 Na\n0.489702 0.251482 0.880980 Na\n0.510298 0.748518 0.119020 Na\n0.755892 0.234980 0.209613 Na\n0.255892 0.765020 0.290387 Na\n0.010298 0.251482 0.380980 Na\n0.989702 0.748518 0.619020 Na\n0.744108 0.234980 0.709613 Na\n0.762052 0.785207 0.923069 Fe\n0.237948 0.214793 0.076931 Fe\n0.737948 0.785207 0.423069 Fe\n0.262052 0.214793 0.576931 Fe\n0.252240 0.707224 0.961424 P\n0.747760 0.292776 0.038576 P\n0.247760 0.707224 0.461424 P\n0.752240 0.292776 0.538576 P\n0.746541 0.730006 0.781912 C\n0.253459 0.269994 0.218088 C\n0.753459 0.730006 0.281912 C\n0.246541 0.269994 0.718088 C\n0.260382 0.293404 0.788536 O\n0.740517 0.956260 0.814671 O\n0.741388 0.533023 0.828049 O\n0.062108 0.765507 0.912802 O\n0.437832 0.771308 0.910082 O\n0.743173 0.134559 0.965457 O\n0.261348 0.416725 0.983087 O\n0.738652 0.583275 0.016913 O\n0.256827 0.865441 0.034543 O\n0.562168 0.228692 0.089918 O\n0.937892 0.234493 0.087198 O\n0.258612 0.466977 0.171951 O\n0.259483 0.043740 0.185329 O\n0.739618 0.706596 0.211464 O\n0.239618 0.293404 0.288536 O\n0.759483 0.956260 0.314671 O\n0.758612 0.533023 0.328049 O\n0.062168 0.771308 0.410082 O\n0.437892 0.765507 0.412802 O\n0.756827 0.134559 0.465457 O\n0.238652 0.416725 0.483087 O\n0.761348 0.583275 0.516913 O\n0.243173 0.865441 0.534543 O\n0.562108 0.234493 0.587198 O\n0.937832 0.228692 0.589918 O\n0.241388 0.466977 0.671951 O\n0.240517 0.043740 0.685329 O\n0.760382 0.706596 0.711464 O\n","nsites":48,"nelements":5,"elements":["Na","Fe","P","C","O"],"chemical_system":"C-Fe-Na-O-P","density":2.8005319156928983,"density_atomic":0.07880786045226416,"volume":609.0762992997985,"volume_molar":7.641548349923491,"formula_full":"Na8 Fe4 P4 C4 O28","formula_reduced":"Na2FePCO7","formula_anonymous":"ABCD2E7","energy":-349.12046743,"energy_per_atom":-7.273343071458334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-320.86046743,"band_gap":2.1595,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":19.9995466,"is_theoretical":true,"updated_at":"2021-11-28T01:37:19.408000Z","spacegroup":14},{"id":"mp-849773","created_at":"2022-09-04T14:46:00.841878Z","structure_string":"Cr8 P8 O32\n1.0\n11.170985 0.000000 0.000000\n0.000000 5.577898 0.000000\n0.000000 0.307252 9.837160\nCr P O\n8 8 32\ndirect\n0.096928 0.841298 0.741770 Cr\n0.403072 0.841298 0.241770 Cr\n0.621780 0.651866 0.989583 Cr\n0.878220 0.651866 0.489583 Cr\n0.121780 0.348134 0.510417 Cr\n0.378220 0.348134 0.010417 Cr\n0.596928 0.158702 0.758230 Cr\n0.903072 0.158702 0.258230 Cr\n0.361597 0.905203 0.914442 P\n0.138403 0.905203 0.414442 P\n0.613875 0.609289 0.663739 P\n0.886125 0.609289 0.163739 P\n0.113875 0.390711 0.836261 P\n0.386125 0.390711 0.336261 P\n0.861597 0.094797 0.585558 P\n0.638403 0.094797 0.085558 P\n0.164075 0.001092 0.562668 O\n0.933001 0.869748 0.644303 O\n0.335925 0.001092 0.062668 O\n0.566999 0.869748 0.144303 O\n0.550208 0.849062 0.681974 O\n0.254318 0.852802 0.832208 O\n0.949792 0.849062 0.181974 O\n0.245682 0.852802 0.332208 O\n0.441675 0.673434 0.933096 O\n0.058325 0.673434 0.433096 O\n0.656962 0.502792 0.812853 O\n0.843038 0.502792 0.312853 O\n0.719741 0.630674 0.566632 O\n0.031000 0.602269 0.873061 O\n0.780259 0.630674 0.066632 O\n0.469000 0.602269 0.373061 O\n0.531000 0.397731 0.626939 O\n0.219741 0.369326 0.933368 O\n0.969000 0.397731 0.126939 O\n0.280259 0.369326 0.433368 O\n0.156962 0.497208 0.687147 O\n0.343038 0.497208 0.187147 O\n0.941675 0.326566 0.566904 O\n0.558325 0.326566 0.066904 O\n0.754318 0.147198 0.667792 O\n0.050208 0.150938 0.818026 O\n0.745682 0.147198 0.167792 O\n0.449792 0.150938 0.318026 O\n0.433001 0.130252 0.855697 O\n0.664075 0.998908 0.937332 O\n0.066999 0.130252 0.355697 O\n0.835925 0.998908 0.437332 O\n","nsites":48,"nelements":3,"elements":["Cr","P","O"],"chemical_system":"Cr-O-P","density":3.185139857387201,"density_atomic":0.07830860099401071,"volume":612.959488366689,"volume_molar":7.6902673315037156,"formula_full":"Cr8 P8 O32","formula_reduced":"CrPO4","formula_anonymous":"ABC4","energy":-400.26641023,"energy_per_atom":-8.338883546458334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-362.29041023,"band_gap":1.8028,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":24.0000363,"is_theoretical":true,"updated_at":"2021-11-28T01:37:19.399000Z","spacegroup":14},{"id":"mp-768648","created_at":"2022-09-04T14:46:00.811255Z","structure_string":"Li8 Fe4 P4 C4 O28\n1.0\n6.504183 0.000000 0.000000\n0.105606 9.374184 0.000000\n0.064191 4.630356 8.995830\nLi Fe P C O\n8 4 4 4 28\ndirect\n0.253050 0.332266 0.570218 Li\n0.256464 0.833633 0.068616 Li\n0.033016 0.988396 0.734900 Li\n0.464153 0.488412 0.234811 Li\n0.968071 0.513443 0.762658 Li\n0.969999 0.012170 0.262164 Li\n0.734466 0.167205 0.927733 Li\n0.747501 0.666900 0.430492 Li\n0.745676 0.734498 0.936375 Fe\n0.754197 0.234502 0.435749 Fe\n0.259415 0.764824 0.564458 Fe\n0.261448 0.264906 0.064509 Fe\n0.246634 0.651327 0.928437 P\n0.244363 0.151394 0.428934 P\n0.759843 0.847929 0.571758 P\n0.752283 0.348000 0.071425 P\n0.759788 0.330583 0.629565 C\n0.755481 0.830725 0.130040 C\n0.228929 0.169808 0.871075 C\n0.252400 0.669781 0.370201 C\n0.760004 0.935355 0.988157 O\n0.740515 0.434987 0.488587 O\n0.216774 0.132638 0.765923 O\n0.756272 0.179753 0.655662 O\n0.275965 0.634021 0.264627 O\n0.726009 0.681849 0.155528 O\n0.065531 0.753400 0.943886 O\n0.439488 0.741913 0.937440 O\n0.061495 0.248548 0.447896 O\n0.435211 0.246422 0.435892 O\n0.772691 0.862087 0.717639 O\n0.236511 0.978301 0.561181 O\n0.721123 0.362267 0.216450 O\n0.256613 0.478561 0.060998 O\n0.781223 0.520199 0.940722 O\n0.226201 0.638311 0.782624 O\n0.782275 0.020037 0.439419 O\n0.232789 0.138029 0.282913 O\n0.563217 0.767057 0.554014 O\n0.935668 0.737328 0.564480 O\n0.937525 0.240713 0.075059 O\n0.565529 0.264059 0.042134 O\n0.226199 0.320289 0.845886 O\n0.781219 0.367731 0.734252 O\n0.226944 0.819293 0.345204 O\n0.779864 0.866315 0.235352 O\n0.257868 0.564729 0.511835 O\n0.248126 0.065107 0.012122 O\n","nsites":48,"nelements":5,"elements":["Li","Fe","P","C","O"],"chemical_system":"C-Fe-Li-O-P","density":2.721189154501987,"density_atomic":0.08751324180342412,"volume":548.4884231328053,"volume_molar":6.881405186117071,"formula_full":"Li8 Fe4 P4 C4 O28","formula_reduced":"Li2FePCO7","formula_anonymous":"ABCD2E7","energy":-355.8574652,"energy_per_atom":-7.4136971916666665,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-327.5974652,"band_gap":2.175,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":20.0066288,"is_theoretical":true,"updated_at":"2021-11-28T01:37:16.548000Z","spacegroup":1},{"id":"mp-570316","created_at":"2022-09-04T14:45:57.999681Z","structure_string":"B48\n1.0\n8.674871 0.000000 0.000000\n0.000000 8.674871 0.000000\n0.000000 0.000000 4.972098\nB\n48\ndirect\n0.829242 0.416037 0.906431 B\n0.583004 0.727210 0.411368 B\n0.583004 0.272790 0.588632 B\n0.125057 0.874943 0.617215 B\n0.374943 0.625057 0.882785 B\n0.583963 0.170758 0.906431 B\n0.416996 0.727210 0.588632 B\n0.272790 0.416996 0.411368 B\n0.416037 0.170758 0.093569 B\n0.416996 0.272790 0.411368 B\n0.755846 0.755846 0.576735 B\n0.255846 0.255846 0.923265 B\n0.329242 0.083963 0.406431 B\n0.170758 0.583963 0.906431 B\n0.244154 0.755846 0.423265 B\n0.416037 0.829242 0.906431 B\n0.772790 0.916996 0.088632 B\n0.255846 0.744154 0.076735 B\n0.083004 0.772790 0.911368 B\n0.670758 0.083963 0.593569 B\n0.227210 0.083004 0.088632 B\n0.727210 0.583004 0.411368 B\n0.916037 0.670758 0.406431 B\n0.244154 0.244154 0.576735 B\n0.916996 0.227210 0.911368 B\n0.829242 0.583963 0.093569 B\n0.083963 0.670758 0.593569 B\n0.625057 0.374943 0.882785 B\n0.916037 0.329242 0.593569 B\n0.744154 0.255846 0.076735 B\n0.125057 0.125057 0.382785 B\n0.744154 0.744154 0.923265 B\n0.227210 0.916996 0.911368 B\n0.772790 0.083004 0.911368 B\n0.272790 0.583004 0.588632 B\n0.916996 0.772790 0.088632 B\n0.083004 0.227210 0.088632 B\n0.727210 0.416996 0.588632 B\n0.670758 0.916037 0.406431 B\n0.583963 0.829242 0.093569 B\n0.625057 0.625057 0.117215 B\n0.170758 0.416037 0.093569 B\n0.755846 0.244154 0.423265 B\n0.874943 0.125057 0.617215 B\n0.083963 0.329242 0.406431 B\n0.374943 0.374943 0.117215 B\n0.874943 0.874943 0.382785 B\n0.329242 0.916037 0.593569 B\n","nsites":48,"nelements":1,"elements":["B"],"chemical_system":"B","density":2.3029816182292575,"density_atomic":0.12828489018094494,"volume":374.1672143328519,"volume_molar":4.694349234353175,"formula_full":"B48","formula_reduced":"B","formula_anonymous":"A","energy":-313.15800344,"energy_per_atom":-6.524125071666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-313.15800344,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0006031,"is_theoretical":false,"updated_at":"2021-11-28T01:37:11.123000Z","spacegroup":134},{"id":"mp-1203335","created_at":"2022-09-04T14:44:31.095080Z","structure_string":"Mn12 As4 O32\n1.0\n9.155404 0.000000 0.000000\n0.000000 12.455834 0.000000\n0.000000 0.000000 5.156372\nMn As O\n12 4 32\ndirect\n0.525746 0.117934 0.029785 Mn\n0.025746 0.382066 0.470215 Mn\n0.474254 0.617934 0.970215 Mn\n0.974254 0.882066 0.529785 Mn\n0.474254 0.882066 0.970215 Mn\n0.974254 0.617934 0.529785 Mn\n0.525746 0.382066 0.029785 Mn\n0.025746 0.117934 0.470215 Mn\n0.500000 0.000000 0.500000 Mn\n0.000000 0.500000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.650764 0.750000 0.477730 As\n0.150764 0.750000 0.022270 As\n0.349236 0.250000 0.522270 As\n0.849236 0.250000 0.977730 As\n0.630239 0.091350 0.319471 O\n0.130239 0.408650 0.180529 O\n0.369761 0.591350 0.680529 O\n0.869761 0.908650 0.819471 O\n0.369761 0.908650 0.680529 O\n0.869761 0.591350 0.819471 O\n0.630239 0.408650 0.319471 O\n0.130239 0.091350 0.180529 O\n0.412673 0.137652 0.681028 O\n0.912673 0.362348 0.818972 O\n0.587327 0.637652 0.318972 O\n0.087327 0.862348 0.181027 O\n0.587327 0.862348 0.318972 O\n0.087327 0.637652 0.181027 O\n0.412673 0.362348 0.681028 O\n0.912673 0.137652 0.818972 O\n0.395244 0.005221 0.168094 O\n0.895244 0.494779 0.331906 O\n0.604756 0.505221 0.831906 O\n0.104756 0.994779 0.668094 O\n0.604756 0.994779 0.831906 O\n0.104756 0.505221 0.668094 O\n0.395244 0.494779 0.168094 O\n0.895244 0.005221 0.331906 O\n0.590307 0.750000 0.797725 O\n0.090307 0.750000 0.702275 O\n0.409693 0.250000 0.202275 O\n0.909693 0.250000 0.297725 O\n0.659704 0.250000 0.940668 O\n0.159704 0.250000 0.559332 O\n0.340296 0.750000 0.059332 O\n0.840296 0.750000 0.440668 O\n","nsites":48,"nelements":3,"elements":["Mn","As","O"],"chemical_system":"As-Mn-O","density":4.153791454014122,"density_atomic":0.08162941254557002,"volume":588.023342360865,"volume_molar":7.377415287214165,"formula_full":"Mn12 As4 O32","formula_reduced":"Mn3AsO8","formula_anonymous":"AB3C8","energy":-367.44048029,"energy_per_atom":-7.655010006041667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-325.44048029,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":40.0583987,"is_theoretical":false,"updated_at":"2021-11-28T01:36:45.598000Z","spacegroup":62},{"id":"mp-772951","created_at":"2022-09-04T14:44:41.590189Z","structure_string":"Mn12 Cr4 O32\n1.0\n8.251267 0.000000 0.000000\n0.000000 8.251267 0.000000\n0.000000 0.000000 8.251267\nMn Cr O\n12 4 32\ndirect\n0.624026 0.625974 0.125000 Mn\n0.625000 0.875974 0.374026 Mn\n0.625974 0.125000 0.624026 Mn\n0.874026 0.875000 0.124026 Mn\n0.875000 0.124026 0.874026 Mn\n0.875974 0.374026 0.625000 Mn\n0.124026 0.874026 0.875000 Mn\n0.125000 0.624026 0.625974 Mn\n0.125974 0.375000 0.375974 Mn\n0.374026 0.625000 0.875974 Mn\n0.375000 0.375974 0.125974 Mn\n0.375974 0.125974 0.375000 Mn\n0.625000 0.375000 0.875000 Cr\n0.875000 0.625000 0.375000 Cr\n0.125000 0.125000 0.125000 Cr\n0.375000 0.875000 0.625000 Cr\n0.608000 0.610502 0.891219 O\n0.608781 0.392000 0.110502 O\n0.610901 0.110901 0.389099 O\n0.639498 0.642000 0.358781 O\n0.610502 0.891219 0.608000 O\n0.639099 0.860901 0.139099 O\n0.641219 0.139498 0.858000 O\n0.642000 0.358781 0.639498 O\n0.858000 0.641219 0.139498 O\n0.858781 0.860502 0.358000 O\n0.860901 0.139099 0.639099 O\n0.889498 0.108781 0.108000 O\n0.860502 0.358000 0.858781 O\n0.889099 0.889099 0.889099 O\n0.891219 0.608000 0.610502 O\n0.892000 0.389498 0.391219 O\n0.108000 0.889498 0.108781 O\n0.108781 0.108000 0.889498 O\n0.110901 0.389099 0.610901 O\n0.139498 0.858000 0.641219 O\n0.110502 0.608781 0.392000 O\n0.139099 0.639099 0.860901 O\n0.141219 0.360502 0.142000 O\n0.142000 0.141219 0.360502 O\n0.358000 0.858781 0.860502 O\n0.358781 0.639498 0.642000 O\n0.360901 0.360901 0.360901 O\n0.389498 0.391219 0.892000 O\n0.360502 0.142000 0.141219 O\n0.389099 0.610901 0.110901 O\n0.391219 0.892000 0.389498 O\n0.392000 0.110502 0.608781 O\n","nsites":48,"nelements":3,"elements":["Mn","Cr","O"],"chemical_system":"Cr-Mn-O","density":4.076817494485528,"density_atomic":0.08544355623549865,"volume":561.7743702954368,"volume_molar":7.048092360998924,"formula_full":"Mn12 Cr4 O32","formula_reduced":"Mn3CrO8","formula_anonymous":"AB3C8","energy":-392.90829885,"energy_per_atom":-8.185589559375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-342.91229885,"band_gap":0.7959,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":44.0014238,"is_theoretical":true,"updated_at":"2021-11-28T01:36:42.529000Z","spacegroup":212},{"id":"mp-569855","created_at":"2022-09-04T14:44:28.824801Z","structure_string":"Mo8 Cl40\n1.0\n6.488178 0.000000 0.000000\n0.000000 12.357625 0.000000\n0.000000 0.000000 18.267614\nMo Cl\n8 40\ndirect\n0.909894 0.875480 0.856545 Mo\n0.590106 0.375481 0.856545 Mo\n0.409894 0.624520 0.143455 Mo\n0.090106 0.124520 0.143455 Mo\n0.090106 0.124520 0.356545 Mo\n0.590106 0.375481 0.643455 Mo\n0.909894 0.875480 0.643455 Mo\n0.409894 0.624520 0.356545 Mo\n0.634116 0.762129 0.655522 Cl\n0.925595 0.232758 0.061729 Cl\n0.134116 0.737871 0.155522 Cl\n0.365884 0.237871 0.155522 Cl\n0.184007 0.990145 0.844014 Cl\n0.252493 0.016406 0.060963 Cl\n0.074405 0.767242 0.938271 Cl\n0.815993 0.009855 0.344014 Cl\n0.315993 0.490145 0.844014 Cl\n0.074405 0.767242 0.561729 Cl\n0.934656 0.228822 0.250000 Cl\n0.425595 0.267242 0.938271 Cl\n0.753656 0.979224 0.750000 Cl\n0.752493 0.483594 0.560963 Cl\n0.365884 0.237871 0.344478 Cl\n0.246344 0.020776 0.250000 Cl\n0.746344 0.479224 0.750000 Cl\n0.747507 0.983594 0.560963 Cl\n0.247507 0.516406 0.060963 Cl\n0.434656 0.271178 0.750000 Cl\n0.253656 0.520776 0.250000 Cl\n0.565344 0.728822 0.250000 Cl\n0.865884 0.262129 0.844478 Cl\n0.865884 0.262129 0.655522 Cl\n0.747507 0.983594 0.939037 Cl\n0.252493 0.016406 0.439037 Cl\n0.925595 0.232758 0.438271 Cl\n0.752493 0.483594 0.939037 Cl\n0.815993 0.009855 0.155986 Cl\n0.065344 0.771178 0.750000 Cl\n0.425595 0.267242 0.561729 Cl\n0.134116 0.737871 0.344478 Cl\n0.247507 0.516406 0.439037 Cl\n0.574405 0.732758 0.061729 Cl\n0.574405 0.732758 0.438271 Cl\n0.634116 0.762129 0.844478 Cl\n0.184007 0.990145 0.655986 Cl\n0.684007 0.509855 0.344014 Cl\n0.315993 0.490145 0.655986 Cl\n0.684007 0.509855 0.155986 Cl\n","nsites":48,"nelements":2,"elements":["Mo","Cl"],"chemical_system":"Cl-Mo","density":2.4779248626313684,"density_atomic":0.032771901657641614,"volume":1464.6693530769692,"volume_molar":18.3759271064326,"formula_full":"Mo8 Cl40","formula_reduced":"MoCl5","formula_anonymous":"AB5","energy":-223.25177684,"energy_per_atom":-4.6510786841666665,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-198.69177684,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":7.4809274,"is_theoretical":false,"updated_at":"2021-11-28T01:36:39.460000Z","spacegroup":62},{"id":"mp-1208393","created_at":"2022-09-04T14:44:30.276070Z","structure_string":"Tb4 Tl4 Mo8 O32\n1.0\n5.158093 0.000000 0.000000\n0.000000 8.179908 0.000000\n0.000000 0.000000 18.807186\nTb Tl Mo O\n4 4 8 32\ndirect\n0.000000 0.750000 0.006421 Tb\n0.000000 0.250000 0.993579 Tb\n0.500000 0.250000 0.493579 Tb\n0.500000 0.750000 0.506421 Tb\n0.000000 0.750000 0.769766 Tl\n0.000000 0.250000 0.230234 Tl\n0.500000 0.250000 0.730234 Tl\n0.500000 0.750000 0.269766 Tl\n0.022664 0.516286 0.399949 Mo\n0.977336 0.483714 0.600051 Mo\n0.477336 0.016286 0.100051 Mo\n0.977336 0.983714 0.399949 Mo\n0.522664 0.983714 0.899949 Mo\n0.022664 0.016286 0.600051 Mo\n0.522664 0.483714 0.100051 Mo\n0.477336 0.516286 0.899949 Mo\n0.100812 0.975415 0.312711 O\n0.899188 0.024585 0.687289 O\n0.399188 0.475415 0.187289 O\n0.899188 0.524585 0.312711 O\n0.600812 0.524585 0.812711 O\n0.100812 0.475415 0.687289 O\n0.600812 0.024585 0.187289 O\n0.399188 0.975415 0.812711 O\n0.270027 0.839997 0.098067 O\n0.729973 0.160003 0.901933 O\n0.229973 0.339997 0.401933 O\n0.729973 0.660003 0.098067 O\n0.770027 0.660003 0.598067 O\n0.270027 0.339997 0.901933 O\n0.770027 0.160003 0.401933 O\n0.229973 0.839997 0.598067 O\n0.248444 0.504627 0.035554 O\n0.751556 0.495373 0.964446 O\n0.251556 0.004627 0.464446 O\n0.751556 0.995373 0.035554 O\n0.748444 0.995373 0.535554 O\n0.248444 0.004627 0.964446 O\n0.748444 0.495373 0.464446 O\n0.251556 0.504627 0.535554 O\n0.241832 0.688862 0.409402 O\n0.758168 0.311138 0.590598 O\n0.258168 0.188862 0.090598 O\n0.758168 0.811138 0.409402 O\n0.741832 0.811138 0.909402 O\n0.241832 0.188862 0.590598 O\n0.741832 0.311138 0.090598 O\n0.258168 0.688862 0.909402 O\n","nsites":48,"nelements":4,"elements":["Tb","Tl","Mo","O"],"chemical_system":"Mo-O-Tb-Tl","density":5.718541447212659,"density_atomic":0.060489477113212904,"volume":793.5264494047876,"volume_molar":9.95568328145552,"formula_full":"Tb4 Tl4 Mo8 O32","formula_reduced":"TbTl(MoO4)2","formula_anonymous":"ABC2D8","energy":-387.26770403,"energy_per_atom":-8.068077167291667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-339.66770403,"band_gap":3.2868,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0008732,"is_theoretical":true,"updated_at":"2021-11-28T01:36:42.095000Z","spacegroup":60},{"id":"mp-560032","created_at":"2022-09-04T14:44:30.346769Z","structure_string":"Na4 Nb8 As4 O32\n1.0\n8.759681 0.000000 0.000000\n0.000000 4.981661 0.000000\n0.000000 2.705463 15.111467\nNa Nb As O\n4 8 4 32\ndirect\n0.021910 0.463029 0.619274 Na\n0.521910 0.536971 0.880726 Na\n0.978090 0.536971 0.380726 Na\n0.478090 0.463029 0.119274 Na\n0.793048 0.948817 0.018965 Nb\n0.206952 0.051183 0.981035 Nb\n0.293048 0.051183 0.481035 Nb\n0.706952 0.948817 0.518965 Nb\n0.571242 0.545940 0.360664 Nb\n0.928758 0.545940 0.860664 Nb\n0.071242 0.454060 0.139336 Nb\n0.428758 0.454060 0.639336 Nb\n0.738917 0.109997 0.734408 As\n0.238917 0.890003 0.765592 As\n0.761083 0.109997 0.234408 As\n0.261083 0.890003 0.265592 As\n0.624700 0.777033 0.995563 O\n0.557634 0.229911 0.746324 O\n0.379207 0.673863 0.742436 O\n0.120793 0.673863 0.242436 O\n0.048230 0.185006 0.062479 O\n0.892239 0.652090 0.107354 O\n0.375300 0.222967 0.004437 O\n0.712866 0.303772 0.433399 O\n0.107761 0.347910 0.892646 O\n0.879207 0.326137 0.757564 O\n0.243987 0.205513 0.700792 O\n0.783379 0.102666 0.624593 O\n0.875300 0.777033 0.495563 O\n0.607761 0.652090 0.607354 O\n0.451770 0.185006 0.562479 O\n0.212866 0.696228 0.066601 O\n0.287134 0.696228 0.566601 O\n0.216621 0.897334 0.375407 O\n0.756013 0.794487 0.299208 O\n0.942366 0.229911 0.246324 O\n0.057634 0.770089 0.753676 O\n0.124700 0.222967 0.504437 O\n0.442366 0.770089 0.253676 O\n0.256013 0.205513 0.200792 O\n0.716621 0.102666 0.124593 O\n0.620793 0.326137 0.257564 O\n0.787134 0.303772 0.933399 O\n0.548230 0.814994 0.437521 O\n0.951770 0.814994 0.937521 O\n0.743987 0.794487 0.799208 O\n0.283379 0.897334 0.875407 O\n0.392239 0.347910 0.392646 O\n","nsites":48,"nelements":4,"elements":["Na","Nb","As","O"],"chemical_system":"As-Na-Nb-O","density":4.147068957287623,"density_atomic":0.07279007197796743,"volume":659.4305884809257,"volume_molar":8.273299636003687,"formula_full":"Na4 Nb8 As4 O32","formula_reduced":"NaNb2AsO8","formula_anonymous":"ABC2D8","energy":-386.75658302,"energy_per_atom":-8.057428812916667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-364.77258302,"band_gap":2.6985,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":4.4e-06,"is_theoretical":false,"updated_at":"2021-11-28T01:36:46.579000Z","spacegroup":14}]}