{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-total_magnetization&page=12134","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-total_magnetization&page=12132","results":[{"id":"mp-773906","created_at":"2022-09-04T14:42:08.168685Z","structure_string":"K4 Na4 Zr4 Si12 H16 O44\n1.0\n6.812709 0.000000 0.000000\n0.000000 11.946177 0.000000\n0.000000 0.000000 13.132721\nK Na Zr Si H O\n4 4 4 12 16 44\ndirect\n0.912086 0.250763 0.350503 K\n0.587914 0.250763 0.850503 K\n0.412086 0.750763 0.149497 K\n0.087914 0.750763 0.649497 K\n0.828755 0.497938 0.108571 Na\n0.671245 0.497938 0.608571 Na\n0.328755 0.997938 0.391429 Na\n0.171245 0.997938 0.891429 Na\n0.147793 0.249193 0.052656 Zr\n0.352207 0.249193 0.552656 Zr\n0.647793 0.749193 0.447344 Zr\n0.852207 0.749193 0.947344 Zr\n0.646131 0.212779 0.110235 Si\n0.853869 0.212779 0.610235 Si\n0.112355 0.281780 0.786844 Si\n0.387645 0.281780 0.286844 Si\n0.389051 0.497930 0.414793 Si\n0.110949 0.497930 0.914793 Si\n0.146131 0.712779 0.389765 Si\n0.353869 0.712779 0.889765 Si\n0.887645 0.781780 0.213156 Si\n0.612355 0.781780 0.713156 Si\n0.889051 0.997930 0.085207 Si\n0.610949 0.997930 0.585207 Si\n0.266029 0.012768 0.166137 H\n0.233971 0.012768 0.666137 H\n0.492223 0.011199 0.179805 H\n0.007777 0.011199 0.679805 H\n0.450166 0.484704 0.191871 H\n0.049834 0.484704 0.691871 H\n0.378880 0.485980 0.079207 H\n0.121120 0.485980 0.579207 H\n0.766029 0.512768 0.333863 H\n0.733971 0.512768 0.833863 H\n0.992223 0.511199 0.320195 H\n0.507777 0.511199 0.820195 H\n0.950166 0.984704 0.308129 H\n0.549834 0.984704 0.808129 H\n0.621120 0.985980 0.920793 H\n0.878880 0.985980 0.420793 H\n0.980168 0.017846 0.375300 O\n0.519832 0.017846 0.875300 O\n0.083886 0.075305 0.071238 O\n0.416114 0.075305 0.571238 O\n0.695291 0.075972 0.112116 O\n0.804709 0.075972 0.612116 O\n0.363678 0.214863 0.393332 O\n0.136322 0.214863 0.893332 O\n0.453607 0.233233 0.040761 O\n0.046393 0.233233 0.540761 O\n0.593523 0.243786 0.229997 O\n0.906477 0.243786 0.729997 O\n0.203627 0.269373 0.209189 O\n0.296373 0.269373 0.709189 O\n0.840692 0.279525 0.073646 O\n0.659308 0.279525 0.573646 O\n0.419085 0.417447 0.313437 O\n0.080915 0.417447 0.813437 O\n0.156735 0.422585 0.015193 O\n0.343265 0.422585 0.515193 O\n0.870477 0.480034 0.290840 O\n0.629523 0.480034 0.790840 O\n0.480168 0.517846 0.124700 O\n0.019832 0.517846 0.624700 O\n0.583886 0.575305 0.428762 O\n0.916114 0.575305 0.928762 O\n0.195291 0.575972 0.387884 O\n0.304709 0.575972 0.887884 O\n0.863678 0.714863 0.106668 O\n0.636322 0.714863 0.606668 O\n0.546393 0.733233 0.959239 O\n0.953607 0.733233 0.459239 O\n0.093523 0.743786 0.270003 O\n0.406477 0.743786 0.770003 O\n0.703627 0.769373 0.290811 O\n0.796373 0.769373 0.790811 O\n0.340692 0.779525 0.426354 O\n0.159308 0.779525 0.926354 O\n0.919085 0.917447 0.186563 O\n0.580915 0.917447 0.686563 O\n0.843265 0.922585 0.984807 O\n0.656735 0.922585 0.484807 O\n0.370477 0.980034 0.209160 O\n0.129523 0.980034 0.709160 O\n","nsites":84,"nelements":6,"elements":["K","Na","Zr","Si","H","O"],"chemical_system":"H-K-Na-O-Si-Zr","density":2.5951326129668453,"density_atomic":0.07859153735102475,"volume":1068.8173667454632,"volume_molar":7.662581701516337,"formula_full":"K4 Na4 Zr4 Si12 H16 O44","formula_reduced":"KNaZrSi3H4O11","formula_anonymous":"ABCD3E4F11","energy":-604.2958149499999,"energy_per_atom":-7.193997797023808,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-574.06781495,"band_gap":4.920400000000001,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:35:46.553000Z","spacegroup":33},{"id":"mp-601202","created_at":"2022-09-04T14:42:13.813526Z","structure_string":"Na4 H8 C4 S4 O16 F12\n1.0\n5.496876 0.000000 0.000000\n0.000000 6.535904 0.000000\n0.000000 0.000000 17.692024\nNa H C S O F\n4 8 4 4 16 12\ndirect\n0.750000 0.935022 0.263247 Na\n0.750000 0.435022 0.236753 Na\n0.250000 0.064978 0.736753 Na\n0.250000 0.564978 0.763247 Na\n0.606141 0.254889 0.375271 H\n0.893859 0.754889 0.124729 H\n0.106141 0.745111 0.624729 H\n0.393859 0.245111 0.875271 H\n0.393859 0.745111 0.624729 H\n0.106141 0.245111 0.875271 H\n0.893859 0.254889 0.375271 H\n0.606141 0.754889 0.124729 H\n0.250000 0.777072 0.429061 C\n0.250000 0.277072 0.070939 C\n0.750000 0.222928 0.570939 C\n0.750000 0.722928 0.929061 C\n0.250000 0.612199 0.342966 S\n0.250000 0.112199 0.157034 S\n0.750000 0.387801 0.657034 S\n0.750000 0.887801 0.842966 S\n0.750000 0.212663 0.346791 O\n0.750000 0.712663 0.153209 O\n0.250000 0.787337 0.653209 O\n0.250000 0.287337 0.846791 O\n0.250000 0.403752 0.372798 O\n0.250000 0.903752 0.127202 O\n0.750000 0.596248 0.627202 O\n0.750000 0.096248 0.872798 O\n0.473334 0.671277 0.303864 O\n0.026666 0.171277 0.196136 O\n0.973334 0.328723 0.696136 O\n0.526666 0.828723 0.803864 O\n0.526666 0.328723 0.696136 O\n0.973334 0.828723 0.803864 O\n0.026666 0.671277 0.303864 O\n0.473334 0.171277 0.196136 O\n0.250000 0.977873 0.409481 F\n0.250000 0.477873 0.090519 F\n0.750000 0.022127 0.590519 F\n0.750000 0.522127 0.909481 F\n0.450003 0.739646 0.471714 F\n0.049997 0.239646 0.028286 F\n0.950003 0.260354 0.528286 F\n0.549997 0.760354 0.971714 F\n0.549997 0.260354 0.528286 F\n0.950003 0.760354 0.971714 F\n0.049997 0.739646 0.471714 F\n0.450003 0.239646 0.028286 F\n","nsites":48,"nelements":6,"elements":["Na","H","C","S","O","F"],"chemical_system":"C-F-H-Na-O-S","density":1.9862460269874158,"density_atomic":0.07551654511980825,"volume":635.6222987141057,"volume_molar":7.974597818856482,"formula_full":"Na4 H8 C4 S4 O16 F12","formula_reduced":"NaH2CSO4F3","formula_anonymous":"ABCD2E3F4","energy":-273.92668939,"energy_per_atom":-5.706806028958333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-257.39068939,"band_gap":5.942,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:35:41.320000Z","spacegroup":62},{"id":"mp-28096","created_at":"2022-09-04T14:42:07.943723Z","structure_string":"S8 Cl8\n1.0\n0.000000 9.381302 11.587100\n2.593957 0.000000 11.587100\n2.593957 9.381302 0.000000\nS Cl\n8 8\ndirect\n0.275742 0.588542 0.368557 S\n0.767158 0.368557 0.588542 S\n0.881443 0.482842 0.974258 S\n0.661458 0.974258 0.482842 S\n0.360442 0.453736 0.119507 S\n0.066315 0.119507 0.453736 S\n0.130493 0.183685 0.889558 S\n0.796264 0.889558 0.183685 S\n0.605826 0.383877 0.152256 Cl\n0.858041 0.152256 0.383877 Cl\n0.097744 0.391959 0.644174 Cl\n0.866123 0.644174 0.391959 Cl\n0.573379 0.105441 0.963083 Cl\n0.358097 0.963083 0.105441 Cl\n0.286917 0.891903 0.676621 Cl\n0.144559 0.676621 0.891903 Cl\n","nsites":16,"nelements":2,"elements":["S","Cl"],"chemical_system":"Cl-S","density":1.5904792723260246,"density_atomic":0.02837196023910565,"volume":563.9370655097308,"volume_molar":21.22567742675588,"formula_full":"S8 Cl8","formula_reduced":"SCl","formula_anonymous":"AB","energy":-55.46422496,"energy_per_atom":-3.46651406,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-50.55222496,"band_gap":2.8804,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:35:40.900000Z","spacegroup":43},{"id":"mp-1522429","created_at":"2022-09-04T14:42:10.060757Z","structure_string":"K1 La1 Dy1 Sb1 O6\n1.0\n0.000000 -4.186829 -4.186829\n4.186829 0.000000 -4.186829\n4.186829 -4.186829 0.000000\nK La Dy Sb O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 La\n0.000000 0.000000 0.000000 Dy\n0.500000 0.500000 0.500000 Sb\n0.737391 0.262609 0.262609 O\n0.262609 0.737391 0.737391 O\n0.737391 0.262609 0.737391 O\n0.262609 0.737391 0.262609 O\n0.737391 0.737391 0.262609 O\n0.262609 0.262609 0.737391 O\n","nsites":10,"nelements":5,"elements":["K","La","Dy","Sb","O"],"chemical_system":"Dy-K-La-O-Sb","density":6.315388535300789,"density_atomic":0.068126226391567,"volume":146.78634836638844,"volume_molar":8.839680515087872,"formula_full":"K1 La1 Dy1 Sb1 O6","formula_reduced":"KLaDySbO6","formula_anonymous":"ABCDE6","energy":-73.40927449,"energy_per_atom":-7.3409274490000005,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-69.28727449,"band_gap":2.394,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:35:41.598000Z","spacegroup":216},{"id":"mp-721144","created_at":"2022-09-04T14:42:09.706407Z","structure_string":"Na8 P4 H40 O34\n1.0\n3.057695 9.706619 0.000000\n-3.057695 9.706619 0.000000\n0.000000 9.526545 16.406806\nNa P H O\n8 4 40 34\ndirect\n0.174909 0.334376 0.596607 Na\n0.665624 0.825091 0.903393 Na\n0.825091 0.665624 0.403393 Na\n0.334376 0.174909 0.096607 Na\n0.649276 0.523870 0.880392 Na\n0.476130 0.350724 0.619608 Na\n0.350724 0.476130 0.119608 Na\n0.523870 0.649276 0.380392 Na\n0.234204 0.474756 0.881882 P\n0.525244 0.765796 0.618118 P\n0.765796 0.525244 0.118118 P\n0.474756 0.234204 0.381882 P\n0.260225 0.558605 0.502188 H\n0.441395 0.739775 0.997812 H\n0.739775 0.441395 0.497812 H\n0.558605 0.260225 0.002188 H\n0.780422 0.788924 0.698672 H\n0.211076 0.219578 0.801328 H\n0.219578 0.211076 0.301328 H\n0.788924 0.780422 0.198672 H\n0.729539 0.801195 0.522765 H\n0.198805 0.270461 0.977235 H\n0.270461 0.198805 0.477235 H\n0.801195 0.729539 0.022765 H\n0.593672 0.778993 0.711418 H\n0.221007 0.406328 0.788582 H\n0.406328 0.221007 0.288582 H\n0.778993 0.593672 0.211418 H\n0.955937 0.792681 0.718677 H\n0.207319 0.044063 0.781323 H\n0.044063 0.207319 0.281323 H\n0.792681 0.955937 0.218677 H\n0.956451 0.837649 0.673289 H\n0.162351 0.043549 0.826711 H\n0.043549 0.162351 0.326711 H\n0.837649 0.956451 0.173289 H\n0.651421 0.441957 0.659049 H\n0.558043 0.348579 0.840951 H\n0.348579 0.558043 0.340951 H\n0.441957 0.651421 0.159049 H\n0.896546 0.140269 0.277257 H\n0.859731 0.103454 0.222743 H\n0.103454 0.859731 0.722743 H\n0.140269 0.896546 0.777257 H\n0.868126 0.965820 0.046118 H\n0.034180 0.131874 0.453882 H\n0.131874 0.034180 0.953882 H\n0.965820 0.868126 0.546118 H\n0.969185 0.296987 0.926266 H\n0.703013 0.030815 0.573734 H\n0.030815 0.703013 0.073734 H\n0.296987 0.969185 0.426266 H\n0.022925 0.977075 0.750000 O\n0.977075 0.022925 0.250000 O\n0.412053 0.456309 0.877021 O\n0.543691 0.587947 0.622979 O\n0.587947 0.543691 0.122979 O\n0.456309 0.412053 0.377021 O\n0.036557 0.807945 0.052173 O\n0.192055 0.963443 0.447827 O\n0.963443 0.192055 0.947827 O\n0.807945 0.036557 0.552173 O\n0.286445 0.454053 0.793932 O\n0.545947 0.713555 0.706068 O\n0.713555 0.545947 0.206068 O\n0.454053 0.286445 0.293932 O\n0.814006 0.427143 0.440908 O\n0.572857 0.185994 0.059092 O\n0.185994 0.572857 0.559092 O\n0.427143 0.814006 0.940908 O\n0.763644 0.668627 0.560615 O\n0.331373 0.236356 0.939385 O\n0.236356 0.331373 0.439385 O\n0.668627 0.763644 0.060615 O\n0.619875 0.872550 0.719265 O\n0.127450 0.380125 0.780735 O\n0.380125 0.127450 0.280735 O\n0.872550 0.619875 0.219265 O\n0.005453 0.320281 0.081485 O\n0.679719 0.994547 0.418515 O\n0.994547 0.679719 0.918515 O\n0.320281 0.005453 0.581485 O\n0.914122 0.517974 0.842685 O\n0.482026 0.085878 0.657315 O\n0.085878 0.482026 0.157315 O\n0.517974 0.914122 0.342685 O\n","nsites":86,"nelements":4,"elements":["Na","P","H","O"],"chemical_system":"H-Na-O-P","density":1.521078108644294,"density_atomic":0.0883043842258002,"volume":973.9040791009002,"volume_molar":6.819752850097437,"formula_full":"Na8 P4 H40 O34","formula_reduced":"Na4P2H20O17","formula_anonymous":"A2B4C17D20","energy":-449.58271244,"energy_per_atom":-5.227705958604651,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-426.22471244,"band_gap":3.1095,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:35:43.157000Z","spacegroup":15},{"id":"mp-775903","created_at":"2022-09-04T14:42:09.694758Z","structure_string":"Li8 Mn4 P8 O28\n1.0\n0.411942 -7.098473 0.263103\n-8.658641 0.256892 0.068563\n0.525587 2.997093 -9.755924\nLi Mn P O\n8 4 8 28\ndirect\n0.626493 0.851166 0.292622 Li\n0.626430 0.851205 0.792591 Li\n0.337171 0.676917 0.007916 Li\n0.337190 0.676851 0.507871 Li\n0.927121 0.399665 0.028000 Li\n0.927053 0.399538 0.528036 Li\n0.375525 0.155543 0.209798 Li\n0.375521 0.155443 0.709768 Li\n0.507196 0.494724 0.754462 Mn\n0.005110 0.004679 0.500341 Mn\n0.507476 0.494570 0.254587 Mn\n0.004874 0.004874 0.000722 Mn\n0.183667 0.797980 0.273787 P\n0.183667 0.797975 0.773889 P\n0.770623 0.690681 0.063206 P\n0.770638 0.690641 0.563284 P\n0.226740 0.317729 0.435161 P\n0.226703 0.317714 0.935171 P\n0.816227 0.204191 0.231626 P\n0.816222 0.204197 0.731626 P\n0.210937 0.945444 0.202611 O\n0.210982 0.945322 0.702519 O\n0.763887 0.841063 0.491551 O\n0.763727 0.841104 0.991579 O\n0.139749 0.820062 0.409692 O\n0.139768 0.820262 0.909762 O\n0.629199 0.686428 0.150665 O\n0.629024 0.686471 0.650573 O\n0.364008 0.702947 0.298523 O\n0.363940 0.702879 0.798643 O\n0.997318 0.680759 0.165830 O\n0.997237 0.680759 0.665944 O\n0.731256 0.544091 0.463857 O\n0.731181 0.544109 0.963815 O\n0.269606 0.462418 0.038611 O\n0.269476 0.462399 0.538600 O\n0.984897 0.321260 0.356281 O\n0.984931 0.321312 0.856262 O\n0.628784 0.286416 0.210838 O\n0.628787 0.286507 0.710739 O\n0.328811 0.327114 0.325910 O\n0.328841 0.326961 0.825919 O\n0.892095 0.201384 0.107867 O\n0.892125 0.201267 0.607881 O\n0.247459 0.167056 0.007183 O\n0.247551 0.167032 0.507144 O\n0.799098 0.046650 0.291685 O\n0.799016 0.046742 0.791760 O\n","nsites":48,"nelements":4,"elements":["Li","Mn","P","O"],"chemical_system":"Li-Mn-O-P","density":2.7265639721612955,"density_atomic":0.08116423217297347,"volume":591.3935081367445,"volume_molar":7.4196978136451675,"formula_full":"Li8 Mn4 P8 O28","formula_reduced":"Li2MnP2O7","formula_anonymous":"AB2C2D7","energy":-361.13787177,"energy_per_atom":-7.523705661875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-335.22987177,"band_gap":3.7889,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:35:38.207000Z","spacegroup":1},{"id":"mp-16432","created_at":"2022-09-04T14:42:08.280354Z","structure_string":"Sr6 B4 O12\n1.0\n5.032967 -4.555448 0.000000\n5.032967 4.555448 0.000000\n0.909732 0.000000 6.727202\nSr B O\n6 4 12\ndirect\n0.750000 0.102473 0.397527 Sr\n0.397527 0.750000 0.102473 Sr\n0.102473 0.397527 0.750000 Sr\n0.250000 0.897527 0.602473 Sr\n0.602473 0.250000 0.897527 Sr\n0.897527 0.602473 0.250000 Sr\n0.383949 0.383949 0.383949 B\n0.616051 0.616051 0.616051 B\n0.883949 0.883949 0.883949 B\n0.116051 0.116051 0.116051 B\n0.727267 0.894039 0.033950 O\n0.033950 0.727267 0.894039 O\n0.894039 0.033950 0.727267 O\n0.605961 0.772733 0.466050 O\n0.772733 0.466050 0.605961 O\n0.466050 0.605961 0.772733 O\n0.966050 0.272733 0.105961 O\n0.272733 0.105961 0.966050 O\n0.105961 0.966050 0.272733 O\n0.227267 0.533950 0.394039 O\n0.533950 0.394039 0.227267 O\n0.394039 0.227267 0.533950 O\n","nsites":22,"nelements":3,"elements":["Sr","B","O"],"chemical_system":"B-O-Sr","density":4.096278340407782,"density_atomic":0.07131863791284784,"volume":308.4747640144816,"volume_molar":8.443992953649959,"formula_full":"Sr6 B4 O12","formula_reduced":"Sr3(BO3)2","formula_anonymous":"A2B3C6","energy":-167.63248398,"energy_per_atom":-7.6196583627272725,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-159.38848398,"band_gap":4.398000000000001,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:35:35.083000Z","spacegroup":167},{"id":"mp-1071820","created_at":"2022-09-04T14:42:07.012350Z","structure_string":"Si2 O4\n1.0\n-2.234788 2.356177 3.891170\n2.234788 -2.356177 3.891170\n2.234788 2.356177 -3.891170\nSi O\n2 4\ndirect\n0.250000 0.000000 0.250000 Si\n0.750000 0.000000 0.750000 Si\n0.605820 0.914557 0.308737 O\n0.394180 0.085443 0.691263 O\n0.105820 0.297083 0.191263 O\n0.894180 0.702917 0.808737 O\n","nsites":6,"nelements":2,"elements":["Si","O"],"chemical_system":"O-Si","density":2.43475720536978,"density_atomic":0.07320939386276319,"volume":81.9566954924866,"volume_molar":8.225912608003531,"formula_full":"Si2 O4","formula_reduced":"SiO2","formula_anonymous":"AB2","energy":-47.62475809,"energy_per_atom":-7.937459681666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-44.87675809,"band_gap":4.6966,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:35:32.245000Z","spacegroup":72},{"id":"mp-505405","created_at":"2022-09-04T14:42:14.367914Z","structure_string":"Ti4 Mn4 H48 O24 F24\n1.0\n7.391992 -6.551586 0.003239\n5.780400 6.474873 11.822663\n0.774770 -6.554512 7.333875\nTi Mn H O F\n4 4 48 24 24\ndirect\n0.124949 0.374935 0.749994 Ti\n0.874999 0.625030 0.249996 Ti\n0.625040 0.875100 0.749994 Ti\n0.374983 0.124978 0.250025 Ti\n0.499986 0.499988 0.000002 Mn\n0.249986 0.749977 0.499996 Mn\n0.000022 0.000003 0.000005 Mn\n0.750086 0.249991 0.499978 Mn\n0.857028 0.328258 0.149250 H\n0.606986 0.578242 0.649292 H\n0.357010 0.828263 0.149240 H\n0.107005 0.078246 0.649291 H\n0.477546 0.328517 0.665625 H\n0.227820 0.578545 0.165676 H\n0.977815 0.828508 0.665650 H\n0.727681 0.078529 0.165690 H\n0.993619 0.328331 0.528133 H\n0.743568 0.578334 0.028111 H\n0.493564 0.828351 0.528094 H\n0.243572 0.078338 0.028101 H\n0.393009 0.421747 0.350743 H\n0.142994 0.671758 0.850733 H\n0.892974 0.921740 0.350766 H\n0.642983 0.171768 0.850726 H\n0.772198 0.421483 0.834309 H\n0.522356 0.671473 0.334272 H\n0.272479 0.921474 0.834348 H\n0.022334 0.171431 0.334284 H\n0.256351 0.421644 0.971905 H\n0.006410 0.671676 0.471886 H\n0.756386 0.921681 0.971877 H\n0.506434 0.171658 0.471903 H\n0.045530 0.164092 0.714809 H\n0.795542 0.414100 0.214767 H\n0.545511 0.664105 0.714784 H\n0.295532 0.914111 0.214752 H\n0.878779 0.164260 0.075837 H\n0.628635 0.414284 0.575827 H\n0.378855 0.664311 0.075798 H\n0.128823 0.914253 0.575804 H\n0.239676 0.164323 0.880911 H\n0.989704 0.414336 0.380912 H\n0.739673 0.664317 0.880915 H\n0.489672 0.914317 0.380894 H\n0.204456 0.585889 0.785276 H\n0.954449 0.835872 0.285272 H\n0.704434 0.085902 0.785244 H\n0.454471 0.335888 0.285241 H\n0.371234 0.585709 0.424157 H\n0.121381 0.835713 0.924166 H\n0.871266 0.085684 0.424154 H\n0.621177 0.335699 0.924214 H\n0.010287 0.585671 0.619079 H\n0.760296 0.835674 0.119066 H\n0.510310 0.085687 0.619085 H\n0.260268 0.335668 0.119094 H\n0.790125 0.342375 0.251199 O\n0.540124 0.592390 0.751219 O\n0.290124 0.842393 0.251193 O\n0.040128 0.092371 0.751236 O\n0.593542 0.342701 0.615574 O\n0.343795 0.592706 0.115597 O\n0.093761 0.842667 0.615639 O\n0.843665 0.092691 0.115602 O\n0.958007 0.342677 0.447541 O\n0.707954 0.592669 0.947554 O\n0.457883 0.842672 0.447579 O\n0.207953 0.092680 0.947538 O\n0.459875 0.407608 0.248798 O\n0.209875 0.657613 0.748808 O\n0.959923 0.907603 0.248857 O\n0.709867 0.157627 0.748784 O\n0.656232 0.407289 0.884407 O\n0.406361 0.657292 0.384425 O\n0.156491 0.907296 0.884419 O\n0.906359 0.157268 0.384414 O\n0.291908 0.407327 0.052517 O\n0.042035 0.657323 0.552444 O\n0.792093 0.907318 0.052373 O\n0.542057 0.157328 0.552456 O\n0.960170 0.294087 0.974562 F\n0.710151 0.544052 0.474623 F\n0.460119 0.794013 0.974686 F\n0.210157 0.044030 0.474630 F\n0.268872 0.293939 0.771901 F\n0.018946 0.543929 0.271910 F\n0.768946 0.793909 0.771929 F\n0.518954 0.043912 0.271894 F\n0.065930 0.293554 0.666098 F\n0.816057 0.543750 0.166088 F\n0.565863 0.793886 0.666059 F\n0.315739 0.043856 0.166125 F\n0.289853 0.455960 0.525344 F\n0.039785 0.705993 0.025386 F\n0.789839 0.955955 0.525413 F\n0.539861 0.205979 0.025341 F\n0.981015 0.456090 0.728079 F\n0.731000 0.706057 0.228117 F\n0.481067 0.956094 0.728106 F\n0.231046 0.206090 0.228095 F\n0.183995 0.456156 0.833920 F\n0.934031 0.706386 0.333913 F\n0.684064 0.956438 0.833845 F\n0.434271 0.206144 0.333808 F\n","nsites":104,"nelements":5,"elements":["Ti","Mn","H","O","F"],"chemical_system":"F-H-Mn-O-Ti","density":1.8905792710280807,"density_atomic":0.09111431525584487,"volume":1141.423273697143,"volume_molar":6.609434250907887,"formula_full":"Ti4 Mn4 H48 O24 F24","formula_reduced":"TiMnH12(OF)6","formula_anonymous":"ABC6D6E12","energy":-599.12736994,"energy_per_atom":-5.760840095576923,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-564.87936994,"band_gap":1.9468,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:35:41.127000Z","spacegroup":148},{"id":"mp-1522285","created_at":"2022-09-04T14:42:09.630330Z","structure_string":"Ba1 Ca1 La1 Bi1 O6\n1.0\n-0.000000 -4.424048 -4.424048\n4.424048 0.000000 -4.424048\n4.424048 -4.424048 -0.000000\nBa Ca La Bi O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Ca\n0.500000 0.500000 0.500000 La\n-0.000000 -0.000000 -0.000000 Bi\n0.761319 0.238681 0.238681 O\n0.238681 0.761319 0.761319 O\n0.761319 0.238681 0.761319 O\n0.238681 0.761319 0.238681 O\n0.761319 0.761319 0.238681 O\n0.238681 0.238681 0.761319 O\n","nsites":10,"nelements":5,"elements":["Ba","Ca","La","Bi","O"],"chemical_system":"Ba-Bi-Ca-La-O","density":5.957335595333197,"density_atomic":0.05774448512690894,"volume":173.17671078064558,"volume_molar":10.42894528674857,"formula_full":"Ba1 Ca1 La1 Bi1 O6","formula_reduced":"BaCaLaBiO6","formula_anonymous":"ABCDE6","energy":-68.66335193,"energy_per_atom":-6.866335193,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-64.54135193,"band_gap":2.2304000000000004,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:35:43.433000Z","spacegroup":216},{"id":"mp-1104131","created_at":"2022-09-04T14:42:06.787008Z","structure_string":"Nb2 P2 O10\n1.0\n6.491658 0.000000 0.000000\n0.000000 6.491658 0.000000\n0.000000 0.000000 4.267160\nNb P O\n2 2 10\ndirect\n0.500000 0.000000 0.222479 Nb\n0.000000 0.500000 0.777521 Nb\n0.500000 0.500000 0.500000 P\n0.000000 0.000000 0.500000 P\n0.500000 0.000000 0.805827 O\n0.000000 0.500000 0.194173 O\n0.020781 0.806286 0.706172 O\n0.979219 0.193714 0.706172 O\n0.693714 0.520781 0.706172 O\n0.306286 0.479219 0.706172 O\n0.479219 0.693714 0.293828 O\n0.520781 0.306286 0.293828 O\n0.806286 0.979219 0.293828 O\n0.193714 0.020781 0.293828 O\n","nsites":14,"nelements":3,"elements":["Nb","P","O"],"chemical_system":"Nb-O-P","density":3.765281401120672,"density_atomic":0.07785344678059253,"volume":179.8250505138836,"volume_molar":7.735226902633697,"formula_full":"Nb2 P2 O10","formula_reduced":"NbPO5","formula_anonymous":"ABC5","energy":-121.19270814000002,"energy_per_atom":-8.656622010000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-114.32270814,"band_gap":3.1971000000000003,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:35:40.138000Z","spacegroup":85},{"id":"mp-1232521","created_at":"2022-09-04T14:42:08.294074Z","structure_string":"Y4 Cr4 B8 O24\n1.0\n-2.411509 -4.177011 -0.000098\n4.822884 0.000095 0.000255\n2.412572 1.392220 20.995787\nY Cr B O\n4 4 8 24\ndirect\n0.249994 0.750028 0.750005 Y\n0.500005 0.499933 0.500073 Y\n0.999999 0.000052 0.999932 Y\n0.750007 0.249961 0.249999 Y\n0.625116 0.375212 0.874931 Cr\n0.875153 0.125109 0.625089 Cr\n0.375062 0.624994 0.124977 Cr\n0.125001 0.875006 0.375060 Cr\n0.940021 0.060128 0.819874 B\n0.189973 0.809989 0.569999 B\n0.689968 0.310016 0.069853 B\n0.439944 0.559949 0.319956 B\n0.310086 0.690090 0.929996 B\n0.560018 0.439958 0.680123 B\n0.060044 0.939949 0.180036 B\n0.810007 0.189888 0.430141 B\n0.910902 0.332997 0.817505 O\n0.160892 0.082928 0.567639 O\n0.660869 0.582953 0.067489 O\n0.410970 0.832953 0.317593 O\n0.339059 0.417100 0.932358 O\n0.589040 0.167034 0.682491 O\n0.088989 0.666963 0.182406 O\n0.839073 0.916967 0.432508 O\n0.667097 0.760549 0.817505 O\n0.916982 0.510393 0.567646 O\n0.417004 0.010405 0.067497 O\n0.166926 0.260358 0.317605 O\n0.583040 0.989662 0.932347 O\n0.832896 0.739511 0.682485 O\n0.333019 0.239518 0.182400 O\n0.082936 0.489455 0.432507 O\n0.239585 0.089183 0.817513 O\n0.489493 0.839004 0.567624 O\n0.989558 0.339080 0.067492 O\n0.739519 0.588915 0.317591 O\n0.010498 0.661077 0.932364 O\n0.260378 0.410894 0.682482 O\n0.760455 0.910993 0.182403 O\n0.510422 0.160845 0.432507 O\n","nsites":40,"nelements":4,"elements":["Y","Cr","B","O"],"chemical_system":"B-Cr-O-Y","density":4.0598183707222555,"density_atomic":0.09457204315626319,"volume":422.9579764276345,"volume_molar":6.3677811740299415,"formula_full":"Y4 Cr4 B8 O24","formula_reduced":"YCr(BO3)2","formula_anonymous":"ABC2D6","energy":-359.3351762,"energy_per_atom":-8.983379404999999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-334.85117619999994,"band_gap":3.2276,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:35:41.719000Z","spacegroup":148}]}