{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-spacegroup&page=10225","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-spacegroup&page=10223","results":[{"id":"mp-686701","created_at":"2022-09-04T14:42:24.068502Z","structure_string":"Nd6 O4 F10\n1.0\n3.841613 0.000000 0.000000\n0.000000 5.614092 0.000000\n0.000000 0.867512 14.969537\nNd O F\n6 4 10\ndirect\n0.000000 0.929263 0.093322 Nd\n0.000000 0.834426 0.738351 Nd\n0.000000 0.802640 0.364844 Nd\n0.500000 0.343953 0.515056 Nd\n0.500000 0.419103 0.216658 Nd\n0.500000 0.424336 0.906109 Nd\n0.000000 0.662985 0.227067 O\n0.500000 0.621646 0.773728 O\n0.500000 0.566547 0.371229 O\n0.500000 0.044431 0.156520 O\n0.000000 0.191245 0.952791 F\n0.000000 0.100124 0.484382 F\n0.000000 0.570389 0.500787 F\n0.000000 0.676083 0.895577 F\n0.000000 0.356926 0.113398 F\n0.500000 0.680995 0.034430 F\n0.500000 0.093998 0.648103 F\n0.500000 0.082149 0.822693 F\n0.500000 0.643624 0.605844 F\n0.500000 0.089137 0.340444 F\n","nsites":20,"nelements":3,"elements":["Nd","O","F"],"chemical_system":"F-Nd-O","density":5.757659031282371,"density_atomic":0.06194817120958196,"volume":322.850531492469,"volume_molar":9.721256725442306,"formula_full":"Nd6 O4 F10","formula_reduced":"Nd3O2F5","formula_anonymous":"A2B3C5","energy":-148.3117186,"energy_per_atom":-7.415585930000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-140.9437186,"band_gap":3.6738,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0040901,"is_theoretical":true,"updated_at":"2021-11-28T01:35:44.833000Z","spacegroup":6},{"id":"mp-1175140","created_at":"2022-09-04T14:42:24.111838Z","structure_string":"Li7 Mn2 Co3 O12\n1.0\n2.948840 0.000000 0.000000\n0.000000 8.219094 0.000000\n0.000000 3.950633 9.032863\nLi Mn Co O\n7 2 3 12\ndirect\n0.000000 0.194209 0.645034 Li\n0.000000 0.495836 0.999887 Li\n0.000000 0.811012 0.354355 Li\n0.500000 0.649809 0.185193 Li\n0.500000 0.005453 0.486831 Li\n0.500000 0.341773 0.824816 Li\n0.500000 0.499246 0.498511 Li\n0.000000 0.002203 0.001301 Mn\n0.500000 0.832154 0.829754 Mn\n0.000000 0.342283 0.347112 Co\n0.000000 0.650035 0.654557 Co\n0.500000 0.178233 0.175182 Co\n0.000000 0.772451 0.978993 O\n0.000000 0.092733 0.321910 O\n0.000000 0.424065 0.674103 O\n0.500000 0.247885 0.493392 O\n0.500000 0.607162 0.828974 O\n0.500000 0.928014 0.142656 O\n0.000000 0.570986 0.327958 O\n0.000000 0.906364 0.691881 O\n0.000000 0.226023 0.009097 O\n0.500000 0.064579 0.854057 O\n0.500000 0.406506 0.163998 O\n0.500000 0.750988 0.510445 O\n","nsites":24,"nelements":4,"elements":["Li","Mn","Co","O"],"chemical_system":"Co-Li-Mn-O","density":3.999167697335144,"density_atomic":0.10962526644383958,"volume":218.92763209196002,"volume_molar":5.493387569630318,"formula_full":"Li7 Mn2 Co3 O12","formula_reduced":"Li7Mn2(CoO4)3","formula_anonymous":"A2B3C7D12","energy":-156.89809159,"energy_per_atom":-6.537420482916667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-140.40409159,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":18.002128,"is_theoretical":true,"updated_at":"2021-11-28T01:35:48.624000Z","spacegroup":6},{"id":"mp-1342713","created_at":"2022-09-04T14:42:24.238166Z","structure_string":"Mg3 Bi2 As2 O12\n1.0\n5.482211 0.000000 0.000000\n0.000000 7.392152 0.000000\n0.000000 3.204888 6.818954\nMg Bi As O\n3 2 2 12\ndirect\n0.500000 0.277911 0.900151 Mg\n0.000000 0.722192 0.096448 Mg\n0.500000 0.892223 0.290283 Mg\n0.000000 0.592923 0.587999 Bi\n0.500000 0.403391 0.409067 Bi\n0.000000 0.198194 0.193780 As\n0.500000 0.799411 0.803767 As\n0.254636 0.878664 0.892776 O\n0.000000 0.089792 0.445743 O\n0.249052 0.669327 0.327236 O\n0.000000 0.451945 0.091844 O\n0.740035 0.115807 0.120224 O\n0.266651 0.345003 0.668766 O\n0.750948 0.669327 0.327236 O\n0.500000 0.544341 0.899658 O\n0.733349 0.345003 0.668766 O\n0.745364 0.878664 0.892776 O\n0.259965 0.115807 0.120224 O\n0.500000 0.906324 0.551720 O\n","nsites":19,"nelements":4,"elements":["Mg","Bi","As","O"],"chemical_system":"As-Bi-Mg-O","density":5.003793982430237,"density_atomic":0.06875577870114702,"volume":276.3404088925406,"volume_molar":8.758741263299132,"formula_full":"Mg3 Bi2 As2 O12","formula_reduced":"Mg3Bi2(AsO6)2","formula_anonymous":"A2B2C3D12","energy":-118.54382237,"energy_per_atom":-6.239148545789473,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-110.29982237,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.0006711,"is_theoretical":true,"updated_at":"2021-11-28T01:35:46.232000Z","spacegroup":6},{"id":"mp-758442","created_at":"2022-09-04T14:42:24.566116Z","structure_string":"Fe6 O6 F6\n1.0\n3.112671 0.000000 0.000000\n0.000000 4.921895 0.000000\n0.000000 0.011787 14.514250\nFe O F\n6 6 6\ndirect\n0.000000 0.973163 0.993818 Fe\n0.000000 0.979803 0.663468 Fe\n0.000000 0.968059 0.331923 Fe\n0.500000 0.482972 0.851407 Fe\n0.500000 0.552432 0.501248 Fe\n0.500000 0.552439 0.163855 Fe\n0.500000 0.816182 0.393639 O\n0.500000 0.815439 0.061890 O\n0.000000 0.661268 0.899498 O\n0.000000 0.713619 0.224896 O\n0.000000 0.694149 0.564601 O\n0.500000 0.170513 0.937149 O\n0.500000 0.785478 0.738903 F\n0.000000 0.284275 0.767243 F\n0.000000 0.312009 0.434896 F\n0.000000 0.318978 0.103589 F\n0.500000 0.205299 0.600724 F\n0.500000 0.213925 0.267255 F\n","nsites":18,"nelements":3,"elements":["Fe","O","F"],"chemical_system":"F-Fe-O","density":4.070340222705272,"density_atomic":0.08094915912070327,"volume":222.36179097500204,"volume_molar":7.439411138317555,"formula_full":"Fe6 O6 F6","formula_reduced":"FeOF","formula_anonymous":"ABC","energy":-127.78373619,"energy_per_atom":-7.099096455,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-107.35373619,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":28.8386066,"is_theoretical":true,"updated_at":"2021-11-28T01:35:44.530000Z","spacegroup":6},{"id":"mp-774601","created_at":"2022-09-04T14:42:24.841596Z","structure_string":"Na5 Ni2 P2 C2 O14\n1.0\n6.668408 0.000000 0.000000\n0.000000 5.187968 0.000000\n0.000000 0.250814 8.824414\nNa Ni P C O\n5 2 2 2 14\ndirect\n0.262977 0.253923 0.265881 Na\n0.737023 0.253923 0.265881 Na\n0.759166 0.745638 0.732349 Na\n0.240834 0.745638 0.732349 Na\n0.000000 0.222694 0.919815 Na\n0.000000 0.777416 0.345930 Ni\n0.500000 0.221633 0.654368 Ni\n0.500000 0.721386 0.419245 P\n0.000000 0.282160 0.582807 P\n0.000000 0.711245 0.063378 C\n0.500000 0.287637 0.931752 C\n0.500000 0.316832 0.073193 O\n0.000000 0.936771 0.122960 O\n0.000000 0.510943 0.155835 O\n0.312308 0.788216 0.324246 O\n0.687692 0.788216 0.324246 O\n0.000000 0.142285 0.431119 O\n0.500000 0.423876 0.459142 O\n0.000000 0.579094 0.548910 O\n0.500000 0.864786 0.571512 O\n0.814970 0.210357 0.682879 O\n0.185030 0.210357 0.682879 O\n0.500000 0.480279 0.833488 O\n0.500000 0.061695 0.872169 O\n0.000000 0.686053 0.918623 O\n","nsites":25,"nelements":5,"elements":["Na","Ni","P","C","O"],"chemical_system":"C-Na-Ni-O-P","density":2.9497167038101275,"density_atomic":0.08189071843114817,"volume":305.2849025988143,"volume_molar":7.3538746214118,"formula_full":"Na5 Ni2 P2 C2 O14","formula_reduced":"Na5Ni2P2(CO7)2","formula_anonymous":"A2B2C2D5E14","energy":-170.69737977,"energy_per_atom":-6.8278951908,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-155.99737977,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.9996555,"is_theoretical":true,"updated_at":"2021-11-28T01:35:46.173000Z","spacegroup":6},{"id":"mp-752880","created_at":"2022-09-04T14:42:24.929096Z","structure_string":"Fe8 O8 F8\n1.0\n12.264875 0.000000 0.000000\n0.000000 4.753310 0.000000\n0.000000 0.007513 4.768363\nFe O F\n8 8 8\ndirect\n0.125369 0.952587 0.007976 Fe\n0.375526 0.027646 0.970697 Fe\n0.624474 0.027646 0.970697 Fe\n0.874631 0.952587 0.007976 Fe\n0.500000 0.445226 0.480843 Fe\n0.000000 0.538368 0.498510 Fe\n0.250373 0.527260 0.526011 Fe\n0.749627 0.527260 0.526011 Fe\n0.253611 0.812123 0.816228 O\n0.746389 0.812123 0.816228 O\n0.000000 0.799069 0.818656 O\n0.871408 0.688849 0.320498 O\n0.128592 0.688849 0.320498 O\n0.373046 0.310565 0.677997 O\n0.626954 0.310565 0.677997 O\n0.500000 0.182762 0.169461 O\n0.500000 0.801125 0.780246 F\n0.377608 0.699831 0.293769 F\n0.622392 0.699831 0.293769 F\n0.876044 0.299903 0.709815 F\n0.123956 0.299903 0.709815 F\n0.751397 0.202310 0.198836 F\n0.000000 0.191303 0.208632 F\n0.248603 0.202310 0.198836 F\n","nsites":24,"nelements":3,"elements":["Fe","O","F"],"chemical_system":"F-Fe-O","density":4.341112461148267,"density_atomic":0.08633415983708642,"volume":277.989616685774,"volume_molar":6.975385839584066,"formula_full":"Fe8 O8 F8","formula_reduced":"FeOF","formula_anonymous":"ABC","energy":-171.65333109000002,"energy_per_atom":-7.152222128750001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-144.41333109,"band_gap":1.4952,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":40.0037539,"is_theoretical":true,"updated_at":"2021-11-28T01:35:43.848000Z","spacegroup":6},{"id":"mp-769541","created_at":"2022-09-04T14:42:25.205227Z","structure_string":"Li8 Ti6 Co12 O36\n1.0\n2.876560 0.000000 0.000000\n0.000000 8.821422 0.000000\n0.000000 0.017957 24.642597\nLi Ti Co O\n8 6 12 36\ndirect\n0.500000 0.812998 0.993267 Li\n0.500000 0.809118 0.208869 Li\n0.500000 0.691159 0.708376 Li\n0.500000 0.683994 0.493451 Li\n0.500000 0.321794 0.503074 Li\n0.500000 0.310972 0.295994 Li\n0.500000 0.188206 0.795791 Li\n0.500000 0.181314 0.002340 Li\n0.500000 0.985856 0.103674 Ti\n0.500000 0.516927 0.603224 Ti\n0.500000 0.489061 0.394907 Ti\n0.000000 0.349238 0.695033 Ti\n0.000000 0.150662 0.195550 Ti\n0.500000 0.001918 0.893019 Ti\n0.500000 0.003522 0.500884 Co\n0.500000 0.969397 0.312412 Co\n0.000000 0.870360 0.585924 Co\n0.000000 0.853113 0.805100 Co\n0.000000 0.648001 0.305143 Co\n0.000000 0.630283 0.086149 Co\n0.500000 0.530916 0.811895 Co\n0.500000 0.497142 0.000801 Co\n0.500000 0.488877 0.190623 Co\n0.000000 0.366705 0.914367 Co\n0.000000 0.131507 0.414579 Co\n0.500000 0.009712 0.691427 Co\n0.500000 0.996114 0.425981 O\n0.500000 0.007095 0.575746 O\n0.000000 0.954820 0.941621 O\n0.000000 0.942344 0.161551 O\n0.000000 0.896787 0.661807 O\n0.500000 0.886944 0.757990 O\n0.000000 0.859857 0.507632 O\n0.000000 0.850089 0.281810 O\n0.500000 0.812189 0.854765 O\n0.500000 0.772883 0.086629 O\n0.500000 0.725055 0.586155 O\n0.500000 0.688091 0.353577 O\n0.000000 0.648682 0.781932 O\n0.000000 0.641593 0.009136 O\n0.500000 0.612422 0.257975 O\n0.000000 0.604336 0.160708 O\n0.000000 0.556998 0.661600 O\n0.000000 0.547742 0.441398 O\n0.500000 0.494411 0.077701 O\n0.500000 0.502430 0.924548 O\n0.000000 0.460896 0.555926 O\n0.000000 0.448903 0.336211 O\n0.000000 0.414560 0.841438 O\n0.500000 0.390021 0.746197 O\n0.000000 0.351621 0.991157 O\n0.000000 0.362308 0.216511 O\n0.500000 0.316087 0.643006 O\n0.500000 0.280110 0.411000 O\n0.500000 0.224400 0.911227 O\n0.500000 0.183403 0.142537 O\n0.000000 0.136928 0.716606 O\n0.000000 0.147824 0.492773 O\n0.500000 0.109648 0.245549 O\n0.000000 0.086567 0.340515 O\n0.000000 0.055183 0.836875 O\n0.000000 0.037908 0.056338 O\n","nsites":62,"nelements":4,"elements":["Li","Ti","Co","O"],"chemical_system":"Co-Li-O-Ti","density":4.317637913430426,"density_atomic":0.09915010519061677,"volume":625.3145156104935,"volume_molar":6.07376134238324,"formula_full":"Li8 Ti6 Co12 O36","formula_reduced":"Li4Ti3(CoO3)6","formula_anonymous":"A3B4C6D18","energy":-452.0966799300001,"energy_per_atom":-7.291881934354841,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-407.70867993,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.0056364,"is_theoretical":true,"updated_at":"2021-11-28T01:35:47.283000Z","spacegroup":6},{"id":"mp-1100593","created_at":"2022-09-04T14:42:26.063153Z","structure_string":"Li9 Mn2 Co5 O16\n1.0\n2.905470 0.000000 0.000000\n0.000000 10.267562 0.000000\n0.000000 3.548049 9.714438\nLi Mn Co O\n9 2 5 16\ndirect\n0.500000 0.991697 0.756516 Li\n0.500000 0.999216 0.246777 Li\n0.000000 0.743068 0.752156 Li\n0.000000 0.746456 0.246195 Li\n0.500000 0.504286 0.765530 Li\n0.500000 0.503324 0.232189 Li\n0.000000 0.254373 0.756400 Li\n0.000000 0.254997 0.244019 Li\n0.000000 0.500681 0.999963 Li\n0.000000 0.000221 0.999742 Mn\n0.500000 0.249805 0.501795 Mn\n0.000000 0.997578 0.500400 Co\n0.500000 0.732221 0.992856 Co\n0.500000 0.753015 0.498142 Co\n0.000000 0.504539 0.500408 Co\n0.500000 0.268041 0.007325 Co\n0.500000 0.109270 0.887327 O\n0.500000 0.125665 0.394621 O\n0.000000 0.876868 0.892891 O\n0.000000 0.866178 0.379721 O\n0.500000 0.636440 0.877749 O\n0.500000 0.615069 0.387088 O\n0.000000 0.363648 0.881959 O\n0.000000 0.360800 0.390806 O\n0.500000 0.879901 0.613346 O\n0.500000 0.891186 0.110611 O\n0.000000 0.629255 0.613509 O\n0.000000 0.636205 0.118158 O\n0.500000 0.375300 0.607327 O\n0.500000 0.363543 0.123364 O\n0.000000 0.142559 0.614263 O\n0.000000 0.124597 0.106845 O\n","nsites":32,"nelements":4,"elements":["Li","Mn","Co","O"],"chemical_system":"Co-Li-Mn-O","density":4.142732242023914,"density_atomic":0.11042020978955526,"volume":289.8020213961494,"volume_molar":5.453839266812949,"formula_full":"Li9 Mn2 Co5 O16","formula_reduced":"Li9Mn2Co5O16","formula_anonymous":"A2B5C9D16","energy":-208.08859294,"energy_per_atom":-6.502768529375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-185.57059294,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":13.9999243,"is_theoretical":true,"updated_at":"2021-11-28T01:35:44.119000Z","spacegroup":6},{"id":"mp-691045","created_at":"2022-09-04T14:42:26.062034Z","structure_string":"Na5 Ce3 Ti6 Nb2 O24\n1.0\n5.526426 0.000000 0.000000\n0.000000 5.509387 0.000000\n0.000000 0.030312 15.400833\nNa Ce Ti Nb O\n5 3 6 2 24\ndirect\n0.500000 0.509475 0.123125 Na\n0.500000 0.512777 0.626767 Na\n0.000000 0.002837 0.377272 Na\n0.000000 0.019167 0.874058 Na\n0.000000 0.982210 0.623793 Na\n0.000000 0.984352 0.125522 Ce\n0.500000 0.482479 0.372443 Ce\n0.500000 0.498775 0.876330 Ce\n0.500000 0.018117 0.001661 Ti\n0.500000 0.987111 0.247875 Ti\n0.500000 0.985555 0.499411 Ti\n0.000000 0.487697 0.251218 Ti\n0.000000 0.516743 0.751175 Ti\n0.000000 0.514943 0.999439 Ti\n0.500000 0.011165 0.744858 Nb\n0.000000 0.490945 0.505654 Nb\n0.500000 0.907585 0.373453 O\n0.500000 0.908467 0.878258 O\n0.249541 0.748388 0.226799 O\n0.257838 0.742496 0.518545 O\n0.254452 0.743357 0.732132 O\n0.247485 0.752256 0.023623 O\n0.256469 0.247964 0.472567 O\n0.249453 0.248151 0.271199 O\n0.252803 0.258273 0.778090 O\n0.252787 0.253930 0.977130 O\n0.000000 0.403894 0.124133 O\n0.000000 0.407576 0.627230 O\n0.000000 0.581011 0.876013 O\n0.000000 0.578811 0.372213 O\n0.752515 0.752256 0.023623 O\n0.750459 0.748388 0.226799 O\n0.742162 0.742496 0.518545 O\n0.745548 0.743357 0.732132 O\n0.743531 0.247964 0.472567 O\n0.750547 0.248151 0.271199 O\n0.747197 0.258273 0.778090 O\n0.747213 0.253930 0.977130 O\n0.500000 0.078215 0.125035 O\n0.500000 0.085040 0.623087 O\n","nsites":40,"nelements":5,"elements":["Na","Ce","Ti","Nb","O"],"chemical_system":"Ce-Na-Nb-O-Ti","density":4.9304799674403474,"density_atomic":0.085303753399952,"volume":468.912543771169,"volume_molar":7.059643356799103,"formula_full":"Na5 Ce3 Ti6 Nb2 O24","formula_reduced":"Na5Ce3Ti6Nb2O24","formula_anonymous":"A2B3C5D6E24","energy":-342.84889148,"energy_per_atom":-8.571222287000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-326.36089148,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.9230986,"is_theoretical":true,"updated_at":"2021-11-28T01:35:48.005000Z","spacegroup":6},{"id":"mp-1075433","created_at":"2022-09-04T14:42:26.573339Z","structure_string":"Mg10 Si12\n1.0\n4.322638 0.000000 0.000000\n0.000000 7.391508 0.000000\n0.000000 1.352137 12.574232\nMg Si\n10 12\ndirect\n0.500000 0.985861 0.947365 Mg\n0.500000 0.926755 0.524402 Mg\n0.000000 0.649928 0.661998 Mg\n0.000000 0.492240 0.304713 Mg\n0.000000 0.814198 0.143023 Mg\n0.000000 0.283588 0.826097 Mg\n0.000000 0.241562 0.573320 Mg\n0.000000 0.065984 0.333684 Mg\n0.000000 0.249822 0.083385 Mg\n0.000000 0.631931 0.950316 Mg\n0.500000 0.383684 0.952067 Si\n0.500000 0.575596 0.105808 Si\n0.000000 0.727347 0.446596 Si\n0.500000 0.550595 0.502541 Si\n0.500000 0.073595 0.717281 Si\n0.500000 0.026032 0.166707 Si\n0.500000 0.270403 0.422297 Si\n0.500000 0.407949 0.684887 Si\n0.500000 0.643667 0.810569 Si\n0.500000 0.310464 0.231304 Si\n0.500000 0.779977 0.315691 Si\n0.000000 0.916091 0.792447 Si\n","nsites":22,"nelements":2,"elements":["Mg","Si"],"chemical_system":"Mg-Si","density":2.3975662005690914,"density_atomic":0.05475947724387356,"volume":401.75693975349884,"volume_molar":10.997440193192773,"formula_full":"Mg10 Si12","formula_reduced":"Mg5Si6","formula_anonymous":"A5B6","energy":-78.20805707,"energy_per_atom":-3.554911685,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-79.06005707,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0039853,"is_theoretical":true,"updated_at":"2021-11-28T01:35:44.084000Z","spacegroup":6},{"id":"mp-849406","created_at":"2022-09-04T14:42:27.079565Z","structure_string":"K4 Li3 Nb18 P12 W2 O84\n1.0\n10.646731 0.000000 0.000000\n0.000000 10.579714 0.000000\n0.000000 0.032136 15.852106\nK Li Nb P W O\n4 3 18 12 2 84\ndirect\n0.000000 0.497892 0.000116 K\n0.500000 0.608870 0.008061 K\n0.000000 0.999236 0.500082 K\n0.500000 0.996377 0.594413 K\n0.500000 0.191929 0.033908 Li\n0.500000 0.689818 0.464892 Li\n0.500000 0.312552 0.533874 Li\n0.500000 0.172071 0.216699 Nb\n0.823078 0.569623 0.222893 Nb\n0.176922 0.569623 0.222893 Nb\n0.824959 0.072586 0.279432 Nb\n0.175041 0.072586 0.279432 Nb\n0.500000 0.674244 0.282467 Nb\n0.819070 0.364190 0.423497 Nb\n0.180930 0.364190 0.423497 Nb\n0.819627 0.640354 0.578414 Nb\n0.180373 0.640354 0.578414 Nb\n0.500000 0.331537 0.717325 Nb\n0.823914 0.930149 0.723419 Nb\n0.176086 0.930149 0.723419 Nb\n0.824598 0.430126 0.778147 Nb\n0.175402 0.430126 0.778147 Nb\n0.500000 0.828167 0.791155 Nb\n0.819422 0.138220 0.922926 Nb\n0.180578 0.138220 0.922926 Nb\n0.767748 0.285292 0.119574 P\n0.232252 0.285292 0.119574 P\n0.500000 0.881523 0.119689 P\n0.500000 0.380972 0.378249 P\n0.767904 0.785331 0.380351 P\n0.232096 0.785331 0.380351 P\n0.768369 0.214834 0.619364 P\n0.231631 0.214834 0.619364 P\n0.500000 0.620933 0.623004 P\n0.500000 0.120782 0.877715 P\n0.770032 0.714295 0.880224 P\n0.229968 0.714295 0.880224 P\n0.818826 0.857509 0.077125 W\n0.181174 0.857509 0.077125 W\n0.795575 0.996292 0.000878 O\n0.204425 0.996292 0.000878 O\n0.181502 0.261911 0.030845 O\n0.818498 0.261911 0.030845 O\n0.000000 0.871550 0.071979 O\n0.618048 0.827206 0.074353 O\n0.381952 0.827206 0.074353 O\n0.500000 0.027840 0.120523 O\n0.624168 0.259531 0.123974 O\n0.375832 0.259531 0.123974 O\n0.836523 0.691118 0.134263 O\n0.163477 0.691118 0.134263 O\n0.793009 0.427681 0.138846 O\n0.206991 0.427681 0.138846 O\n0.796695 0.941815 0.174780 O\n0.203305 0.941815 0.174780 O\n0.837436 0.203835 0.185913 O\n0.162564 0.203835 0.185913 O\n0.500000 0.833145 0.213058 O\n0.632434 0.600399 0.226241 O\n0.367566 0.600399 0.226241 O\n0.000000 0.533327 0.227054 O\n0.000000 0.028454 0.268285 O\n0.634149 0.097605 0.270529 O\n0.365851 0.097605 0.270529 O\n0.500000 0.331667 0.285672 O\n0.837482 0.704216 0.313454 O\n0.162518 0.704216 0.313454 O\n0.792575 0.444712 0.320705 O\n0.207425 0.444712 0.320705 O\n0.793247 0.927108 0.359584 O\n0.206753 0.927108 0.359584 O\n0.839574 0.188108 0.365359 O\n0.160426 0.188108 0.365359 O\n0.624512 0.758831 0.376069 O\n0.375488 0.758831 0.376069 O\n0.500000 0.527775 0.376866 O\n0.614442 0.329173 0.428323 O\n0.385558 0.329173 0.428323 O\n0.000000 0.377245 0.427353 O\n0.818951 0.763428 0.468925 O\n0.181049 0.763428 0.468925 O\n0.789482 0.500923 0.499819 O\n0.210518 0.500923 0.499819 O\n0.819194 0.237106 0.530651 O\n0.180806 0.237106 0.530651 O\n0.000000 0.622742 0.572576 O\n0.386014 0.672574 0.571847 O\n0.613986 0.672574 0.571847 O\n0.500000 0.473184 0.622520 O\n0.623587 0.238489 0.623306 O\n0.376413 0.238489 0.623306 O\n0.837278 0.812276 0.635723 O\n0.162722 0.812276 0.635723 O\n0.790610 0.071728 0.638713 O\n0.209390 0.071728 0.638713 O\n0.791131 0.556166 0.678673 O\n0.208869 0.556166 0.678673 O\n0.837144 0.295564 0.686010 O\n0.162856 0.295564 0.686010 O\n0.500000 0.668503 0.715253 O\n0.631736 0.898845 0.728822 O\n0.368264 0.898845 0.728822 O\n0.000000 0.971283 0.729608 O\n0.000000 0.471182 0.769827 O\n0.633185 0.402119 0.773152 O\n0.366815 0.402119 0.773152 O\n0.500000 0.168991 0.784787 O\n0.840541 0.795972 0.815198 O\n0.159459 0.795972 0.815198 O\n0.791218 0.055323 0.822057 O\n0.208782 0.055323 0.822057 O\n0.797153 0.572213 0.863519 O\n0.202847 0.572213 0.863519 O\n0.838777 0.310966 0.864262 O\n0.161223 0.310966 0.864262 O\n0.373064 0.736284 0.874895 O\n0.626936 0.736284 0.874895 O\n0.500000 0.974571 0.874636 O\n0.614424 0.170607 0.928363 O\n0.385576 0.170607 0.928363 O\n0.000000 0.122396 0.927859 O\n0.817868 0.739285 0.970626 O\n0.182132 0.739285 0.970626 O\n","nsites":123,"nelements":6,"elements":["K","Li","Nb","P","W","O"],"chemical_system":"K-Li-Nb-O-P-W","density":3.6574537064740262,"density_atomic":0.06888551898772792,"volume":1785.5712173978493,"volume_molar":8.742244884694642,"formula_full":"K4 Li3 Nb18 P12 W2 O84","formula_reduced":"K4Li3Nb18P12(WO42)2","formula_anonymous":"A2B3C4D12E18F84","energy":-1052.71559983,"energy_per_atom":-8.558663413252033,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-986.13159983,"band_gap":0.8404,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.2488164,"is_theoretical":true,"updated_at":"2021-11-28T01:35:50.442000Z","spacegroup":6},{"id":"mp-1228463","created_at":"2022-09-04T14:42:27.580233Z","structure_string":"Ba3 Sr5 Tl5 Cu3 O19\n1.0\n3.767885 0.000000 0.000000\n0.000000 9.408275 0.000000\n0.000000 4.702440 15.409908\nBa Sr Tl Cu O\n3 5 5 3 19\ndirect\n0.500000 0.728990 0.127988 Ba\n0.500000 0.273117 0.874033 Ba\n0.500000 0.853035 0.874221 Ba\n0.500000 0.141711 0.127109 Sr\n0.500000 0.606252 0.370448 Sr\n0.500000 0.395703 0.627871 Sr\n0.500000 0.977137 0.627789 Sr\n0.500000 0.024964 0.369886 Sr\n0.000000 0.379750 0.230930 Tl\n0.000000 0.616010 0.767532 Tl\n0.000000 0.263239 0.474508 Tl\n0.000000 0.739077 0.523944 Tl\n0.000000 0.492758 0.005028 Tl\n0.000000 0.882765 0.252041 Cu\n0.000000 0.127654 0.747419 Cu\n0.000000 0.007784 0.000912 Cu\n0.000000 0.710940 0.002422 O\n0.000000 0.273875 0.008627 O\n0.000000 0.583483 0.260031 O\n0.000000 0.412152 0.738565 O\n0.000000 0.848612 0.738288 O\n0.000000 0.148152 0.254369 O\n0.500000 0.873860 0.258475 O\n0.500000 0.131053 0.739325 O\n0.500000 0.423461 0.132101 O\n0.500000 0.565426 0.866576 O\n0.000000 0.949721 0.128144 O\n0.000000 0.063585 0.873470 O\n0.000000 0.501427 0.498765 O\n0.000000 0.000458 0.498490 O\n0.000000 0.811273 0.379119 O\n0.000000 0.189881 0.618835 O\n0.500000 0.300075 0.396432 O\n0.500000 0.699090 0.601627 O\n0.500000 0.003530 0.004679 O\n","nsites":35,"nelements":5,"elements":["Ba","Sr","Tl","Cu","O"],"chemical_system":"Ba-Cu-O-Sr-Tl","density":7.194004281609343,"density_atomic":0.06407083089115424,"volume":546.2704246720199,"volume_molar":9.39919254399966,"formula_full":"Ba3 Sr5 Tl5 Cu3 O19","formula_reduced":"Ba3Sr5Tl5Cu3O19","formula_anonymous":"A3B3C5D5E19","energy":-202.47977142,"energy_per_atom":-5.785136326285714,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-189.42677142,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0066343,"is_theoretical":true,"updated_at":"2021-11-28T01:35:46.995000Z","spacegroup":6}]}