{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-is_stable&page=66","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-is_stable&page=64","results":[{"id":"mp-1245137","created_at":"2022-09-04T14:43:43.073232Z","structure_string":"V30 O75\n1.0\n12.436455 0.186697 0.666950\n0.201764 12.437010 -0.264417\n0.680302 -0.271637 12.300031\nV O\n30 75\ndirect\n0.890649 0.426832 0.945957 V\n0.960511 0.887790 0.094164 V\n0.231885 0.942593 0.760705 V\n0.372225 0.569584 0.861865 V\n0.808918 0.145554 0.416446 V\n0.521395 0.921744 0.683687 V\n0.388303 0.110366 0.853778 V\n0.698663 0.552893 0.553430 V\n0.704012 0.262121 0.894159 V\n0.544835 0.756975 0.946710 V\n0.353459 0.980790 0.327521 V\n0.154469 0.857395 0.515245 V\n0.912402 0.721436 0.607719 V\n0.753301 0.896422 0.802196 V\n0.124980 0.317946 0.305804 V\n0.114148 0.137761 0.501450 V\n0.885003 0.151294 0.673729 V\n0.841108 0.846286 0.301112 V\n0.131429 0.698821 0.952788 V\n0.660388 0.224026 0.295992 V\n0.177586 0.956057 0.005549 V\n0.574483 0.917222 0.394520 V\n0.610996 0.492762 0.304179 V\n0.229703 0.198078 0.078890 V\n0.600424 0.399340 0.678414 V\n0.457777 0.770837 0.214962 V\n0.245145 0.639051 0.331890 V\n0.047224 0.535168 0.174921 V\n0.433788 0.339646 0.885529 V\n0.813880 0.601489 0.150226 V\n0.627794 0.556433 0.433471 O\n0.544309 0.318811 0.952489 O\n0.040494 0.397196 0.227438 O\n0.227594 0.854280 0.629558 O\n0.143897 0.031642 0.734103 O\n0.345856 0.692511 0.227566 O\n0.000969 0.358327 0.899638 O\n0.340899 0.581594 0.739535 O\n0.534815 0.335671 0.591622 O\n0.163625 0.562500 0.252181 O\n0.299257 0.899800 0.424432 O\n0.027360 0.808024 0.562484 O\n0.833245 0.226121 0.788485 O\n0.805064 0.644450 0.549845 O\n0.503392 0.797726 0.711234 O\n0.094833 0.644634 0.843140 O\n0.853062 0.024207 0.688959 O\n0.113815 0.228475 0.040100 O\n0.174013 0.748514 0.409165 O\n0.837856 0.803244 0.712454 O\n0.804937 0.235356 0.303779 O\n0.337371 0.219923 0.969229 O\n0.390766 0.996737 0.722134 O\n0.400090 0.897910 0.198943 O\n0.584337 0.350865 0.308147 O\n0.635733 0.965184 0.743141 O\n0.173069 0.396313 0.393682 O\n0.569172 0.913554 0.535850 O\n0.522932 0.564592 0.247322 O\n0.682493 0.144496 0.939228 O\n0.230502 0.055399 0.097287 O\n0.859025 0.806915 0.422668 O\n0.107101 0.597853 0.056058 O\n0.188208 0.843026 0.070581 O\n0.654279 0.305970 0.760082 O\n0.978532 0.857762 0.234322 O\n0.545257 0.743576 0.098138 O\n0.742606 0.624998 0.051373 O\n0.974282 0.628197 0.663731 O\n0.232673 0.173782 0.524858 O\n0.669451 0.804880 0.881709 O\n0.486337 0.439221 0.793439 O\n0.868935 0.028210 0.375919 O\n0.739302 0.502776 0.229340 O\n0.268215 0.025729 0.891746 O\n0.169754 0.861789 0.866185 O\n0.490865 0.063320 0.905710 O\n0.827603 0.193753 0.549983 O\n0.488005 0.022962 0.364091 O\n0.311857 0.568223 0.409674 O\n0.734606 0.422669 0.573374 O\n0.025821 0.171681 0.623862 O\n0.522403 0.796001 0.338366 O\n0.775073 0.333596 0.986636 O\n0.110317 0.989712 0.488668 O\n0.499909 0.636054 0.892916 O\n0.991892 0.774069 0.007983 O\n0.450392 0.847491 0.941700 O\n0.851638 0.500979 0.849360 O\n0.038800 0.996183 0.030368 O\n0.792561 0.732559 0.232142 O\n0.636450 0.152269 0.190610 O\n0.600439 0.561464 0.660879 O\n0.065777 0.208672 0.388105 O\n0.237501 0.271456 0.206747 O\n0.954402 0.613453 0.248699 O\n0.665248 0.137555 0.413683 O\n0.700034 0.922239 0.327208 O\n0.278068 0.666016 0.937450 O\n0.920547 0.510459 0.077955 O\n0.268621 0.078893 0.313673 O\n0.818758 0.954851 0.891663 O\n0.334402 0.443358 0.936246 O\n0.830156 0.917753 0.116460 O\n0.424341 0.229181 0.781240 O\n","nsites":105,"nelements":2,"elements":["V","O"],"chemical_system":"O-V","density":2.3901402477379454,"density_atomic":0.05539714487076836,"volume":1895.4045419659485,"volume_molar":10.870850427487875,"formula_full":"V30 O75","formula_reduced":"V2O5","formula_anonymous":"A2B5","energy":-872.63956658,"energy_per_atom":-8.310853015047618,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-770.11456658,"band_gap":0.353,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:36:14.606000Z","spacegroup":1},{"id":"mp-1219547","created_at":"2022-09-04T14:43:43.374367Z","structure_string":"Re4 Pb4 O13\n1.0\n0.000000 5.268547 5.268547\n5.268547 0.000000 5.268547\n5.268547 5.268547 0.000000\nRe Pb O\n4 4 13\ndirect\n0.124913 0.625029 0.625029 Re\n0.625029 0.124913 0.625029 Re\n0.625029 0.625029 0.124913 Re\n0.625029 0.625029 0.625029 Re\n0.618077 0.127308 0.127308 Pb\n0.127308 0.618077 0.127308 Pb\n0.127308 0.127308 0.618077 Pb\n0.127308 0.127308 0.127308 Pb\n0.304699 0.304699 0.695301 O\n0.695301 0.695301 0.304699 O\n0.304699 0.695301 0.304699 O\n0.695301 0.304699 0.695301 O\n0.695301 0.304699 0.304699 O\n0.304699 0.695301 0.695301 O\n0.941887 0.941887 0.558113 O\n0.558113 0.558113 0.941887 O\n0.941887 0.558113 0.941887 O\n0.558113 0.941887 0.558113 O\n0.558113 0.941887 0.941887 O\n0.941887 0.558113 0.558113 O\n0.000000 0.000000 0.000000 O\n","nsites":21,"nelements":3,"elements":["Re","Pb","O"],"chemical_system":"O-Pb-Re","density":10.114901404532446,"density_atomic":0.07179872349370507,"volume":292.4843086080934,"volume_molar":8.387531792996276,"formula_full":"Re4 Pb4 O13","formula_reduced":"Re4Pb4O13","formula_anonymous":"A4B4C13","energy":-165.43133307000002,"energy_per_atom":-7.877682527142858,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-156.50033307,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.3544015,"is_theoretical":true,"updated_at":"2021-11-28T01:36:21.305000Z","spacegroup":216},{"id":"mp-1181494","created_at":"2022-09-04T14:43:42.582355Z","structure_string":"H22 C2 S2 O16 F6\n1.0\n7.070142 0.292544 -3.813363\n1.840537 8.547296 2.536359\n-0.237599 0.663434 10.304535\nH C S O F\n22 2 2 16 6\ndirect\n0.155150 0.325987 0.761424 H\n0.844850 0.674013 0.238576 H\n0.132456 0.118844 0.760792 H\n0.867544 0.881156 0.239208 H\n0.925885 0.271779 0.627852 H\n0.074115 0.728221 0.372148 H\n0.329868 0.899143 0.788662 H\n0.670132 0.100857 0.211338 H\n0.341740 0.872865 0.952530 H\n0.658260 0.127135 0.047470 H\n0.411193 0.410042 0.133692 H\n0.588807 0.589958 0.866308 H\n0.152669 0.517678 0.689007 H\n0.847331 0.482322 0.310993 H\n0.378426 0.372476 0.792788 H\n0.621574 0.627524 0.207212 H\n0.392727 0.430099 0.050232 H\n0.607273 0.569901 0.949768 H\n0.649922 0.351150 0.821041 H\n0.350078 0.648850 0.178959 H\n0.539809 0.236347 0.750199 H\n0.460191 0.763653 0.249801 H\n0.810526 0.792639 0.698201 C\n0.189474 0.207361 0.301799 C\n0.711121 0.668532 0.578984 S\n0.288879 0.331468 0.421016 S\n0.869797 0.614715 0.557972 O\n0.130203 0.385285 0.442028 O\n0.529991 0.787673 0.424934 O\n0.470009 0.212327 0.575066 O\n0.677051 0.539159 0.682997 O\n0.322949 0.460841 0.317003 O\n0.050237 0.226817 0.735711 O\n0.949763 0.773183 0.264289 O\n0.308154 0.956163 0.845899 O\n0.691846 0.043837 0.154101 O\n0.936606 0.064932 0.943832 O\n0.063394 0.935068 0.056168 O\n0.246864 0.413977 0.784510 O\n0.753136 0.586023 0.215490 O\n0.572538 0.276451 0.836862 O\n0.427462 0.723549 0.163138 O\n0.681275 0.846403 0.731762 F\n0.318725 0.153597 0.268238 F\n0.988020 0.702009 0.842960 F\n0.011980 0.297991 0.157040 F\n0.840764 0.924458 0.610791 F\n0.159236 0.075542 0.389209 F\n","nsites":48,"nelements":5,"elements":["H","C","S","O","F"],"chemical_system":"C-F-H-O-S","density":1.345682515355026,"density_atomic":0.08098711428417668,"volume":592.6868789468434,"volume_molar":7.435924607547858,"formula_full":"H22 C2 S2 O16 F6","formula_reduced":"H11CSO8F3","formula_anonymous":"ABC3D8E11","energy":-253.2284967,"energy_per_atom":-5.27559368125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-239.46449670000004,"band_gap":2.0947,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.9992515,"is_theoretical":true,"updated_at":"2021-11-28T01:36:17.039000Z","spacegroup":2},{"id":"mp-1182417","created_at":"2022-09-04T14:43:42.708787Z","structure_string":"Fe4 P4 H20 C4 O32\n1.0\n9.863841 0.000000 0.000000\n0.000000 7.767973 0.000000\n0.000000 0.132592 10.811657\nFe P H C O\n4 4 20 4 32\ndirect\n0.158446 0.499902 0.129923 Fe\n0.658446 0.500098 0.370077 Fe\n0.341554 0.499902 0.629923 Fe\n0.841554 0.500098 0.870077 Fe\n0.166705 0.450206 0.845658 P\n0.833295 0.549794 0.154342 P\n0.333295 0.450206 0.345658 P\n0.666705 0.549794 0.654342 P\n0.664791 0.006616 0.320726 H\n0.919456 0.388703 0.317582 H\n0.164791 0.993384 0.179274 H\n0.848519 0.727890 0.557370 H\n0.843513 0.275910 0.088245 H\n0.651481 0.727890 0.057370 H\n0.474767 0.834303 0.890866 H\n0.080544 0.611297 0.682418 H\n0.343513 0.724090 0.411755 H\n0.025233 0.834303 0.390866 H\n0.419456 0.611297 0.182418 H\n0.525233 0.165697 0.109134 H\n0.156487 0.724090 0.911755 H\n0.151481 0.272110 0.442630 H\n0.835209 0.006616 0.820726 H\n0.580544 0.388703 0.817582 H\n0.348519 0.272110 0.942630 H\n0.656487 0.275910 0.588245 H\n0.335209 0.993384 0.679274 H\n0.974767 0.165697 0.609134 H\n0.980603 0.977681 0.933161 C\n0.019397 0.022319 0.066839 C\n0.519397 0.977681 0.433161 C\n0.480603 0.022319 0.566839 C\n0.308195 0.267490 0.027446 O\n0.861678 0.046712 0.903102 O\n0.688271 0.390350 0.556212 O\n0.833622 0.690374 0.012131 O\n0.981616 0.605229 0.172324 O\n0.518384 0.605229 0.672324 O\n0.203145 0.361579 0.298000 O\n0.333622 0.309626 0.487869 O\n0.666378 0.690374 0.512131 O\n0.166378 0.309626 0.987869 O\n0.703145 0.638421 0.202000 O\n0.051781 0.892009 0.864207 O\n0.811729 0.390350 0.056212 O\n0.829744 0.403374 0.281390 O\n0.670256 0.403374 0.781390 O\n0.329744 0.596626 0.218610 O\n0.170256 0.596626 0.718610 O\n0.448219 0.892009 0.364207 O\n0.691805 0.732510 0.972554 O\n0.138322 0.953288 0.096898 O\n0.551781 0.107991 0.635793 O\n0.796855 0.638421 0.702000 O\n0.311729 0.609650 0.443788 O\n0.638322 0.046712 0.403102 O\n0.296855 0.361579 0.798000 O\n0.361678 0.953288 0.596898 O\n0.808195 0.732510 0.472554 O\n0.188271 0.609650 0.943788 O\n0.481616 0.394771 0.327676 O\n0.948219 0.107991 0.135793 O\n0.018384 0.394771 0.827676 O\n0.191805 0.267490 0.527446 O\n","nsites":64,"nelements":5,"elements":["Fe","P","H","C","O"],"chemical_system":"C-Fe-H-O-P","density":1.8590756433090208,"density_atomic":0.07725630702221288,"volume":828.4113293377925,"volume_molar":7.795015050704539,"formula_full":"Fe4 P4 H20 C4 O32","formula_reduced":"FePH5CO8","formula_anonymous":"ABCD5E8","energy":-398.16571542,"energy_per_atom":-6.2213393034375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-367.15771542,"band_gap":2.4753,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":19.9999696,"is_theoretical":true,"updated_at":"2021-11-28T01:36:17.295000Z","spacegroup":14},{"id":"mp-1187279","created_at":"2022-09-04T14:43:42.968962Z","structure_string":"Tb3 Hg1\n1.0\n4.822497 0.000000 0.000000\n0.000000 4.822497 0.000000\n0.000000 0.000000 4.822497\nTb Hg\n3 1\ndirect\n0.000000 0.500000 0.500000 Tb\n0.500000 0.000000 0.500000 Tb\n0.500000 0.500000 0.000000 Tb\n0.000000 0.000000 0.000000 Hg\n","nsites":4,"nelements":2,"elements":["Tb","Hg"],"chemical_system":"Hg-Tb","density":10.02897675631671,"density_atomic":0.03566515311842333,"volume":112.15429208219898,"volume_molar":16.885223343928892,"formula_full":"Tb3 Hg1","formula_reduced":"Tb3Hg","formula_anonymous":"AB3","energy":-14.82755532,"energy_per_atom":-3.70688883,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-14.82755532,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.8562967,"is_theoretical":true,"updated_at":"2021-11-28T01:36:14.992000Z","spacegroup":221},{"id":"mp-531911","created_at":"2022-09-04T14:43:43.041989Z","structure_string":"La14 Mn15 O48\n1.0\n5.474941 0.000000 0.000000\n-0.136361 9.578409 0.000000\n-2.605739 -1.423165 18.076151\nLa Mn O\n14 15 48\ndirect\n0.531856 0.856674 0.059757 La\n0.030758 0.329534 0.060477 La\n0.663876 0.213722 0.313796 La\n0.596080 0.541725 0.193738 La\n0.281565 0.103856 0.567602 La\n0.094871 0.021142 0.182625 La\n0.224023 0.412989 0.438107 La\n0.905129 0.978858 0.817375 La\n0.775977 0.587011 0.561893 La\n0.718435 0.896144 0.432398 La\n0.403920 0.458275 0.806262 La\n0.336124 0.786278 0.686204 La\n0.969242 0.670466 0.939523 La\n0.468144 0.143326 0.940243 La\n0.500000 0.500000 0.000000 Mn\n0.124528 0.378217 0.250690 Mn\n0.066511 0.683744 0.125852 Mn\n0.749225 0.249584 0.501340 Mn\n0.626909 0.870295 0.251787 Mn\n0.690046 0.565310 0.373529 Mn\n0.564530 0.188612 0.127438 Mn\n0.373091 0.129705 0.748213 Mn\n0.250775 0.750416 0.498660 Mn\n0.187961 0.058495 0.374051 Mn\n0.875472 0.621783 0.749310 Mn\n0.812039 0.941505 0.625949 Mn\n0.309954 0.434690 0.626471 Mn\n0.435470 0.811388 0.872562 Mn\n0.933489 0.316256 0.874148 Mn\n0.327354 0.582239 0.077701 O\n0.332694 0.807934 0.178644 O\n0.103397 0.540047 0.196681 O\n0.030794 0.812858 0.054350 O\n0.805865 0.099551 0.081067 O\n0.933879 0.443908 0.325305 O\n0.814494 0.557703 0.060814 O\n0.805234 0.316143 0.190425 O\n0.810377 0.787134 0.170803 O\n0.731357 0.420513 0.448186 O\n0.601369 0.053647 0.200292 O\n0.520458 0.320534 0.046688 O\n0.447602 0.975351 0.326130 O\n0.543027 0.345005 0.565219 O\n0.434503 0.434924 0.310729 O\n0.321408 0.075898 0.068886 O\n0.440520 0.186204 0.435440 O\n0.300314 0.285260 0.173529 O\n0.347018 0.298103 0.697393 O\n0.232645 0.932605 0.454499 O\n0.149594 0.195698 0.295301 O\n0.060580 0.839882 0.575241 O\n0.916906 0.959002 0.313720 O\n0.060822 0.323278 0.554401 O\n0.083094 0.040998 0.686280 O\n0.939178 0.676722 0.445599 O\n0.939420 0.160118 0.424759 O\n0.850406 0.804302 0.704699 O\n0.767355 0.067395 0.545501 O\n0.652982 0.701897 0.302607 O\n0.699686 0.714740 0.826471 O\n0.559480 0.813796 0.564560 O\n0.678592 0.924102 0.931114 O\n0.565497 0.565076 0.689271 O\n0.552398 0.024649 0.673870 O\n0.456973 0.654995 0.434781 O\n0.479542 0.679466 0.953312 O\n0.398631 0.946353 0.799708 O\n0.268643 0.579487 0.551814 O\n0.189623 0.212866 0.829197 O\n0.194766 0.683857 0.809575 O\n0.185506 0.442297 0.939186 O\n0.194135 0.900449 0.918933 O\n0.066121 0.556092 0.674695 O\n0.969206 0.187142 0.945650 O\n0.896603 0.459953 0.803319 O\n0.667306 0.192066 0.821356 O\n0.672646 0.417761 0.922299 O\n","nsites":77,"nelements":3,"elements":["La","Mn","O"],"chemical_system":"La-Mn-O","density":6.195420729283127,"density_atomic":0.08122915652974946,"volume":947.9354863398025,"volume_molar":7.413767441736816,"formula_full":"La14 Mn15 O48","formula_reduced":"La14Mn15O48","formula_anonymous":"A14B15C48","energy":-662.54148734,"energy_per_atom":-8.60443490051948,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-604.54548734,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":51.0895307,"is_theoretical":true,"updated_at":"2021-11-28T01:36:21.732000Z","spacegroup":2},{"id":"mp-760974","created_at":"2022-09-04T14:43:43.092679Z","structure_string":"Li6 V6 P16 O58\n1.0\n-9.728348 0.000000 0.000000\n4.816070 8.466182 0.000000\n-0.074325 -0.149846 -14.246773\nLi V P O\n6 6 16 58\ndirect\n0.657320 0.334087 0.098804 Li\n0.094016 0.329974 0.562680 Li\n0.904061 0.670945 0.446730 Li\n0.679137 0.906968 0.052516 Li\n0.057518 0.013600 0.990359 Li\n0.995199 0.996611 0.515325 Li\n0.998413 0.436551 0.758030 V\n0.004021 0.569361 0.243354 V\n0.430234 0.430960 0.251171 V\n0.560709 0.563517 0.750736 V\n0.434359 0.997341 0.744008 V\n0.565053 0.000790 0.258913 V\n0.308156 0.084945 0.158365 P\n0.303501 0.219871 0.660029 P\n0.784838 0.085696 0.660014 P\n0.661200 0.330367 0.866105 P\n0.671307 0.341856 0.367835 P\n0.908760 0.216793 0.160813 P\n0.084015 0.314265 0.342247 P\n0.774510 0.688484 0.156458 P\n0.222914 0.305465 0.845210 P\n0.909898 0.685125 0.659490 P\n0.088251 0.786909 0.839552 P\n0.328343 0.660087 0.631909 P\n0.341072 0.670238 0.131590 P\n0.217440 0.917491 0.342497 P\n0.693816 0.774098 0.341773 P\n0.687154 0.913400 0.840958 P\n0.198335 0.991036 0.428840 O\n0.347532 0.086913 0.663535 O\n0.199485 0.212717 0.930341 O\n0.348180 0.262033 0.168052 O\n0.471197 0.092970 0.172665 O\n0.521322 0.182458 0.820072 O\n0.620349 0.075413 0.667503 O\n0.762568 0.982915 0.932629 O\n0.732752 0.078528 0.164742 O\n0.523154 0.336592 0.320717 O\n0.457595 0.380621 0.670137 O\n0.668932 0.189473 0.323608 O\n0.662234 0.328345 0.970612 O\n0.674793 0.347584 0.471620 O\n0.815654 0.334917 0.826158 O\n0.624521 0.523632 0.167685 O\n0.661413 0.476685 0.824049 O\n0.917086 0.263159 0.667033 O\n0.983034 0.196620 0.258455 O\n0.020031 0.244964 0.435272 O\n0.993194 0.204560 0.078137 O\n0.899950 0.374104 0.171726 O\n0.819057 0.489506 0.324538 O\n0.090344 0.351292 0.831802 O\n0.915648 0.531329 0.675146 O\n0.735906 0.647440 0.670960 O\n0.202624 0.196983 0.754431 O\n0.198453 0.202762 0.579384 O\n0.792211 0.789309 0.424835 O\n0.255916 0.343295 0.328463 O\n0.086266 0.471014 0.320748 O\n0.916685 0.655286 0.162706 O\n0.179781 0.512585 0.673780 O\n0.081632 0.622776 0.829725 O\n0.011725 0.809400 0.923343 O\n0.976592 0.764848 0.568296 O\n0.005710 0.802461 0.744470 O\n0.082409 0.740742 0.332672 O\n0.345555 0.527763 0.179138 O\n0.382536 0.460192 0.832363 O\n0.185793 0.661933 0.174367 O\n0.346872 0.671542 0.028069 O\n0.328832 0.653404 0.527857 O\n0.331237 0.811398 0.674322 O\n0.538352 0.616244 0.328359 O\n0.473756 0.660234 0.680554 O\n0.263788 0.916941 0.828326 O\n0.201461 0.000465 0.249595 O\n0.217566 0.008717 0.072908 O\n0.379875 0.920722 0.328134 O\n0.483089 0.820705 0.177077 O\n0.530435 0.913596 0.822599 O\n0.652942 0.740036 0.829725 O\n0.781018 0.783637 0.074539 O\n0.797036 0.793473 0.249361 O\n0.654889 0.911880 0.334265 O\n0.814345 0.009525 0.577661 O\n0.804235 0.009004 0.756487 O\n","nsites":86,"nelements":4,"elements":["Li","V","P","O"],"chemical_system":"Li-O-P-V","density":2.5060245101988485,"density_atomic":0.07329177650773207,"volume":1173.392215304363,"volume_molar":8.216666380524535,"formula_full":"Li6 V6 P16 O58","formula_reduced":"Li3V3P8O29","formula_anonymous":"A3B3C8D29","energy":-656.55023311,"energy_per_atom":-7.634305036162791,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-606.50423311,"band_gap":0.7778999999999999,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0004045,"is_theoretical":true,"updated_at":"2021-11-28T01:36:20.952000Z","spacegroup":1},{"id":"mp-1342","created_at":"2022-09-04T14:43:43.244939Z","structure_string":"Ba1 O1\n1.0\n0.000000 2.807442 2.807442\n2.807442 0.000000 2.807442\n2.807442 2.807442 0.000000\nBa O\n1 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 O\n","nsites":2,"nelements":2,"elements":["Ba","O"],"chemical_system":"Ba-O","density":5.753123041444008,"density_atomic":0.045192630593489554,"volume":44.25500294484119,"volume_molar":13.325492853402409,"formula_full":"Ba1 O1","formula_reduced":"BaO","formula_anonymous":"AB","energy":-12.51422136,"energy_per_atom":-6.25711068,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-11.82722136,"band_gap":2.0906,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0010415,"is_theoretical":false,"updated_at":"2021-11-28T01:36:27.086000Z","spacegroup":225},{"id":"mp-16496","created_at":"2022-09-04T14:43:43.359877Z","structure_string":"Al2 Cu4 Re4\n1.0\n5.911619 0.000000 0.000000\n0.000000 5.911619 0.000000\n0.000000 0.000000 3.911970\nAl Cu Re\n2 4 4\ndirect\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.000000 Al\n0.863932 0.363932 0.000000 Cu\n0.363932 0.136068 0.000000 Cu\n0.636068 0.863932 0.000000 Cu\n0.136068 0.636068 0.000000 Cu\n0.663600 0.163600 0.500000 Re\n0.163600 0.336400 0.500000 Re\n0.836400 0.663600 0.500000 Re\n0.336400 0.836400 0.500000 Re\n","nsites":10,"nelements":3,"elements":["Al","Cu","Re"],"chemical_system":"Al-Cu-Re","density":12.789654166623246,"density_atomic":0.07314617350161014,"volume":136.7125513377658,"volume_molar":8.233022278147521,"formula_full":"Al2 Cu4 Re4","formula_reduced":"Al(CuRe)2","formula_anonymous":"AB2C2","energy":-69.85881165,"energy_per_atom":-6.985881165,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-69.85881165,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001049,"is_theoretical":false,"updated_at":"2021-11-28T01:36:14.583000Z","spacegroup":127},{"id":"mp-571626","created_at":"2022-09-04T14:43:43.372169Z","structure_string":"Mg6 Ga14 Co4\n1.0\n4.717533 4.540286 0.000000\n-4.717533 4.540286 0.000000\n0.000000 0.575008 9.414228\nMg Ga Co\n6 14 4\ndirect\n0.639689 0.744881 0.697612 Mg\n0.147825 0.852175 0.750000 Mg\n0.255119 0.360311 0.802388 Mg\n0.852175 0.147825 0.250000 Mg\n0.744881 0.639689 0.197612 Mg\n0.360311 0.255119 0.302388 Mg\n0.771662 0.228338 0.750000 Ga\n0.693165 0.436580 0.481487 Ga\n0.891029 0.555137 0.897129 Ga\n0.555137 0.891029 0.397129 Ga\n0.436580 0.693165 0.981487 Ga\n0.809498 0.945552 0.974065 Ga\n0.054448 0.190502 0.525935 Ga\n0.444863 0.108971 0.602871 Ga\n0.108971 0.444863 0.102871 Ga\n0.945552 0.809498 0.474065 Ga\n0.190502 0.054448 0.025935 Ga\n0.306835 0.563420 0.518513 Ga\n0.563420 0.306835 0.018513 Ga\n0.228338 0.771662 0.250000 Ga\n0.031251 0.484089 0.355031 Co\n0.515911 0.968749 0.144969 Co\n0.968749 0.515911 0.644969 Co\n0.484089 0.031251 0.855031 Co\n","nsites":24,"nelements":3,"elements":["Mg","Ga","Co"],"chemical_system":"Co-Ga-Mg","density":5.590300862932851,"density_atomic":0.05951115462715614,"volume":403.28573946115836,"volume_molar":10.119347873065761,"formula_full":"Mg6 Ga14 Co4","formula_reduced":"Mg3Ga7Co2","formula_anonymous":"A2B3C7","energy":-86.2945759,"energy_per_atom":-3.5956073291666666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-86.2945759,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002329,"is_theoretical":false,"updated_at":"2021-11-28T01:36:12.462000Z","spacegroup":15},{"id":"mp-27514","created_at":"2022-09-04T14:43:43.400301Z","structure_string":"Na4 Fe4 Cl16\n1.0\n6.335398 0.000000 0.000000\n0.000000 10.056163 0.000000\n0.000000 0.000000 10.558773\nNa Fe Cl\n4 4 16\ndirect\n0.061273 0.535406 0.633085 Na\n0.438727 0.464594 0.133085 Na\n0.938727 0.035406 0.866915 Na\n0.561273 0.964594 0.366915 Na\n0.958275 0.739669 0.211446 Fe\n0.458275 0.760331 0.788554 Fe\n0.041725 0.239669 0.288554 Fe\n0.541725 0.260331 0.711446 Fe\n0.326521 0.578276 0.877693 Cl\n0.173479 0.421724 0.377693 Cl\n0.673479 0.078276 0.622307 Cl\n0.826521 0.921724 0.122307 Cl\n0.191723 0.259075 0.716180 Cl\n0.691723 0.240925 0.283820 Cl\n0.808277 0.759075 0.783820 Cl\n0.308277 0.740925 0.216180 Cl\n0.647281 0.435515 0.602762 Cl\n0.147281 0.064485 0.397238 Cl\n0.352719 0.935515 0.897238 Cl\n0.852719 0.564485 0.102762 Cl\n0.824215 0.735575 0.405104 Cl\n0.324215 0.764425 0.594896 Cl\n0.175785 0.235575 0.094896 Cl\n0.675785 0.264425 0.905104 Cl\n","nsites":24,"nelements":3,"elements":["Na","Fe","Cl"],"chemical_system":"Cl-Fe-Na","density":2.1786476654503075,"density_atomic":0.035677267213475805,"volume":672.6972628367361,"volume_molar":16.87949002362309,"formula_full":"Na4 Fe4 Cl16","formula_reduced":"NaFeCl4","formula_anonymous":"ABC4","energy":-105.56320032,"energy_per_atom":-4.39846668,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-95.73920032,"band_gap":0.2252,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":20.0,"is_theoretical":false,"updated_at":"2021-11-28T01:36:14.180000Z","spacegroup":19},{"id":"mp-1211616","created_at":"2022-09-04T14:43:39.272727Z","structure_string":"K5 Tm3 I12\n1.0\n7.356666 -12.742119 0.000000\n7.356666 12.742119 0.000000\n0.000000 0.000000 4.523922\nK Tm I\n5 3 12\ndirect\n0.333333 0.666667 0.000000 K\n0.666667 0.333333 0.000000 K\n0.715697 0.000000 0.000000 K\n0.000000 0.715697 0.000000 K\n0.284303 0.284303 0.000000 K\n0.322262 0.000000 0.500000 Tm\n0.000000 0.322262 0.500000 Tm\n0.677738 0.677738 0.500000 Tm\n0.179616 0.000000 0.000000 I\n0.000000 0.179616 0.000000 I\n0.820384 0.820384 0.000000 I\n0.461523 0.000000 0.000000 I\n0.000000 0.461523 0.000000 I\n0.538477 0.538477 0.000000 I\n0.239295 0.443215 0.500000 I\n0.556785 0.796080 0.500000 I\n0.443215 0.239295 0.500000 I\n0.203920 0.760705 0.500000 I\n0.796080 0.556785 0.500000 I\n0.760705 0.203920 0.500000 I\n","nsites":20,"nelements":3,"elements":["K","Tm","I"],"chemical_system":"I-K-Tm","density":4.356524442853489,"density_atomic":0.023580998783115203,"volume":848.1404958266942,"volume_molar":25.538107250622723,"formula_full":"K5 Tm3 I12","formula_reduced":"K5(TmI4)3","formula_anonymous":"A3B5C12","energy":-68.49097372,"energy_per_atom":-3.424548686,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-63.94297372,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.8265406,"is_theoretical":true,"updated_at":"2021-11-28T01:36:15.036000Z","spacegroup":189}]}