{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-total_magnetization&page=12172","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-total_magnetization&page=12170","results":[{"id":"mp-759141","created_at":"2022-09-04T14:43:56.399905Z","structure_string":"Li2 Bi2 P8 O24\n1.0\n9.237908 0.000000 0.000000\n0.000000 6.982200 0.000000\n0.000000 0.551161 7.538007\nLi Bi P O\n2 2 8 24\ndirect\n0.978086 0.782275 0.785265 Li\n0.478086 0.217725 0.214735 Li\n0.635977 0.756023 0.268354 Bi\n0.135977 0.243977 0.731646 Bi\n0.639278 0.007220 0.579456 P\n0.438188 0.902169 0.879050 P\n0.269813 0.605267 0.407174 P\n0.609300 0.548531 0.911216 P\n0.109300 0.451469 0.088784 P\n0.769813 0.394733 0.592826 P\n0.938188 0.097831 0.120950 P\n0.139278 0.992780 0.420544 P\n0.059709 0.976243 0.235107 O\n0.469620 0.932284 0.071878 O\n0.039385 0.950142 0.577580 O\n0.292027 0.961469 0.808215 O\n0.260461 0.835183 0.400618 O\n0.715497 0.816854 0.569006 O\n0.471513 0.682925 0.837072 O\n0.727088 0.682187 0.969934 O\n0.222034 0.530723 0.589312 O\n0.149332 0.556800 0.262976 O\n0.055127 0.595674 0.949961 O\n0.420856 0.564675 0.345193 O\n0.920856 0.435325 0.654807 O\n0.555127 0.404326 0.050039 O\n0.649332 0.443200 0.737024 O\n0.722034 0.469277 0.410688 O\n0.227088 0.317813 0.030066 O\n0.971513 0.317075 0.162928 O\n0.215497 0.183146 0.430994 O\n0.760461 0.164817 0.599382 O\n0.792027 0.038531 0.191785 O\n0.539385 0.049858 0.422420 O\n0.969620 0.067716 0.928122 O\n0.559709 0.023757 0.764893 O\n","nsites":36,"nelements":4,"elements":["Li","Bi","P","O"],"chemical_system":"Bi-Li-O-P","density":3.6325577259453072,"density_atomic":0.07404232487820576,"volume":486.2083957954775,"volume_molar":8.133376106039329,"formula_full":"Li2 Bi2 P8 O24","formula_reduced":"LiBi(PO3)4","formula_anonymous":"ABC4D12","energy":-263.82686639,"energy_per_atom":-7.32852406638889,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-247.33886639,"band_gap":4.1966,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:36:20.248000Z","spacegroup":4},{"id":"mp-1522693","created_at":"2022-09-04T14:43:55.231356Z","structure_string":"Na1 La1 V4 O12\n1.0\n0.000000 -3.644258 -4.231998\n0.000000 -3.644258 4.231998\n-7.408119 0.000000 0.000000\nNa La V O\n1 1 4 12\ndirect\n0.983394 0.016606 0.500000 Na\n0.466630 0.533370 0.000000 La\n0.473535 0.034216 0.256237 V\n0.473535 0.034216 0.743763 V\n0.965784 0.526465 0.743763 V\n0.965784 0.526465 0.256237 V\n0.286306 0.244117 0.248789 O\n0.755883 0.713694 0.248789 O\n0.755883 0.713694 0.751211 O\n0.286306 0.244117 0.751211 O\n0.259885 0.740116 0.221151 O\n0.770358 0.229642 0.278330 O\n0.770358 0.229642 0.721670 O\n0.259885 0.740116 0.778849 O\n0.535602 0.015886 0.000000 O\n0.469525 0.969264 0.500000 O\n0.984114 0.464398 0.000000 O\n0.030736 0.530475 0.500000 O\n","nsites":18,"nelements":4,"elements":["Na","La","V","O"],"chemical_system":"La-Na-O-V","density":4.052485172279794,"density_atomic":0.07877347237617928,"volume":228.50332043307404,"volume_molar":7.644884220974201,"formula_full":"Na1 La1 V4 O12","formula_reduced":"NaLaV4O12","formula_anonymous":"ABC4D12","energy":-147.17701315000002,"energy_per_atom":-8.176500730555556,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-132.13301315,"band_gap":0.5880000000000001,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:36:19.459000Z","spacegroup":38},{"id":"mp-1520471","created_at":"2022-09-04T14:43:40.026476Z","structure_string":"Ba1 Sr1 Tb1 Sb1 O6\n1.0\n0.000000 -4.239647 -4.239647\n4.239647 -0.000000 -4.239647\n4.239647 -4.239647 0.000000\nBa Sr Tb Sb O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Sr\n0.500000 0.500000 0.500000 Tb\n-0.000000 -0.000000 -0.000000 Sb\n0.763424 0.236576 0.236576 O\n0.236576 0.763424 0.763424 O\n0.763424 0.236576 0.763424 O\n0.236576 0.763424 0.236576 O\n0.763424 0.763424 0.236576 O\n0.236576 0.236576 0.763424 O\n","nsites":10,"nelements":5,"elements":["Ba","Sr","Tb","Sb","O"],"chemical_system":"Ba-O-Sb-Sr-Tb","density":6.554787086121979,"density_atomic":0.0656116425588008,"volume":152.41197461316494,"volume_molar":9.178463646300258,"formula_full":"Ba1 Sr1 Tb1 Sb1 O6","formula_reduced":"BaSrTbSbO6","formula_anonymous":"ABCDE6","energy":-72.69288659,"energy_per_atom":-7.269288659,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-68.57088659,"band_gap":3.501,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:36:19.350000Z","spacegroup":216},{"id":"mp-567373","created_at":"2022-09-04T14:43:52.065191Z","structure_string":"La2 C2 N4 Cl2\n1.0\n4.038459 0.000000 0.000000\n0.000000 5.363572 0.000000\n0.000000 1.369659 7.505808\nLa C N Cl\n2 2 4 2\ndirect\n0.750000 0.822772 0.735918 La\n0.250000 0.177228 0.264082 La\n0.750000 0.653084 0.358249 C\n0.250000 0.346916 0.641751 C\n0.250000 0.568238 0.660771 N\n0.250000 0.122609 0.618451 N\n0.750000 0.877391 0.381549 N\n0.750000 0.431762 0.339229 N\n0.750000 0.254783 0.958007 Cl\n0.250000 0.745217 0.041993 Cl\n","nsites":10,"nelements":4,"elements":["La","C","N","Cl"],"chemical_system":"C-Cl-La-N","density":4.3792659671215155,"density_atomic":0.0615081629271379,"volume":162.58004668170506,"volume_molar":9.790799258845988,"formula_full":"La2 C2 N4 Cl2","formula_reduced":"LaCN2Cl","formula_anonymous":"ABCD2","energy":-80.49196244,"energy_per_atom":-8.049196244,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-77.81996244,"band_gap":3.2,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:36:35.102000Z","spacegroup":11},{"id":"mp-776285","created_at":"2022-09-04T14:43:40.006328Z","structure_string":"Li8 Cr4 P4 C4 O28\n1.0\n0.471073 5.047799 0.000284\n0.000195 0.000343 6.410003\n16.672551 0.212973 0.000516\nLi Cr P C O\n8 4 4 4 28\ndirect\n0.781477 0.245653 0.049654 Li\n0.781592 0.245492 0.549686 Li\n0.218623 0.745570 0.450349 Li\n0.218598 0.745496 0.950342 Li\n0.260711 0.460393 0.140674 Li\n0.260853 0.460272 0.640638 Li\n0.739190 0.960352 0.359356 Li\n0.739277 0.960295 0.859349 Li\n0.795836 0.753059 0.662180 Cr\n0.203983 0.253186 0.837922 Cr\n0.796050 0.753553 0.162051 Cr\n0.203629 0.253479 0.337920 Cr\n0.728692 0.249671 0.209184 P\n0.728784 0.249407 0.709208 P\n0.271161 0.749662 0.290767 P\n0.271225 0.749295 0.790814 P\n0.682450 0.752566 0.022650 C\n0.682558 0.752432 0.522707 C\n0.317643 0.252560 0.477282 C\n0.317543 0.252473 0.977341 C\n0.931750 0.755762 0.038971 O\n0.931842 0.755531 0.539022 O\n0.068260 0.255780 0.461015 O\n0.068229 0.255551 0.961014 O\n0.389118 0.279906 0.046784 O\n0.389326 0.279796 0.546725 O\n0.610893 0.779839 0.453265 O\n0.610882 0.779746 0.953181 O\n0.512121 0.724291 0.086665 O\n0.512287 0.724027 0.586740 O\n0.487758 0.224208 0.413223 O\n0.487861 0.224031 0.913322 O\n0.789076 0.063206 0.150789 O\n0.789122 0.062783 0.650878 O\n0.210878 0.563183 0.349166 O\n0.210963 0.562789 0.849193 O\n0.836044 0.436897 0.154773 O\n0.836223 0.436572 0.654819 O\n0.163832 0.936875 0.345184 O\n0.163947 0.936535 0.845217 O\n0.136974 0.729361 0.213063 O\n0.137064 0.729091 0.713105 O\n0.862896 0.229340 0.286882 O\n0.862942 0.229119 0.786943 O\n0.423870 0.278384 0.230440 O\n0.423948 0.278146 0.730464 O\n0.575991 0.778357 0.269514 O\n0.576027 0.778085 0.769569 O\n","nsites":48,"nelements":5,"elements":["Li","Cr","P","C","O"],"chemical_system":"C-Cr-Li-O-P","density":2.722567294781191,"density_atomic":0.08908342886330423,"volume":538.820750530994,"volume_molar":6.760113341888522,"formula_full":"Li8 Cr4 P4 C4 O28","formula_reduced":"Li2CrPCO7","formula_anonymous":"ABCD2E7","energy":-367.6352415500001,"energy_per_atom":-7.659067532291669,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-340.40324155,"band_gap":2.6729,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:36:19.764000Z","spacegroup":4},{"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-1197622","created_at":"2022-09-04T14:43:52.292486Z","structure_string":"Na4 Tl2 P6 H14 N6 O16\n1.0\n8.123905 0.000000 0.000000\n1.903315 7.933295 0.000000\n1.239848 1.791368 8.535053\nNa Tl P H N O\n4 2 6 14 6 16\ndirect\n0.926500 0.000975 0.330815 Na\n0.073500 0.999025 0.669185 Na\n0.147182 0.152643 0.995228 Na\n0.852818 0.847357 0.004772 Na\n0.625692 0.714692 0.425344 Tl\n0.374308 0.285308 0.574656 Tl\n0.248859 0.718985 0.149213 P\n0.751141 0.281015 0.850787 P\n0.554981 0.166748 0.152645 P\n0.445019 0.833252 0.847355 P\n0.786372 0.413160 0.129098 P\n0.213628 0.586840 0.870902 P\n0.535834 0.718008 0.089671 H\n0.464166 0.281992 0.910329 H\n0.255248 0.438645 0.125664 H\n0.744752 0.561355 0.874336 H\n0.511203 0.421640 0.235906 H\n0.488797 0.578360 0.764094 H\n0.971866 0.682129 0.619944 H\n0.028134 0.317871 0.380056 H\n0.066194 0.640568 0.460510 H\n0.933806 0.359432 0.539490 H\n0.250151 0.847636 0.394717 H\n0.749849 0.152364 0.605283 H\n0.269579 0.041723 0.345107 H\n0.730421 0.958277 0.654893 H\n0.422390 0.785011 0.045368 N\n0.577610 0.214989 0.954632 N\n0.214411 0.563364 0.067146 N\n0.785589 0.436636 0.932854 N\n0.613815 0.327910 0.212810 N\n0.386185 0.672090 0.787190 N\n0.098580 0.868734 0.126716 O\n0.901420 0.131266 0.873284 O\n0.679901 0.000177 0.206236 O\n0.320099 0.999823 0.793764 O\n0.296919 0.638277 0.315053 O\n0.703081 0.361723 0.684947 O\n0.942516 0.283321 0.184135 O\n0.057484 0.716679 0.815865 O\n0.752891 0.593834 0.161908 O\n0.247109 0.406166 0.838092 O\n0.366145 0.182292 0.201440 O\n0.633855 0.817708 0.798560 O\n0.956041 0.693436 0.508808 O\n0.043959 0.306564 0.491192 O\n0.211826 0.960398 0.425004 O\n0.788174 0.039602 0.574996 O\n","nsites":48,"nelements":6,"elements":["Na","Tl","P","H","N","O"],"chemical_system":"H-N-Na-O-P-Tl","density":3.1416237149115447,"density_atomic":0.0872602745443938,"volume":550.0784893311322,"volume_molar":6.90135435791716,"formula_full":"Na4 Tl2 P6 H14 N6 O16","formula_reduced":"Na2TlP3H7N3O8","formula_anonymous":"AB2C3D3E7F8","energy":-295.46171209,"energy_per_atom":-6.1554523352083335,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-282.30371209,"band_gap":4.3761,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:36:20.467000Z","spacegroup":2},{"id":"mp-1207992","created_at":"2022-09-04T14:43:54.881727Z","structure_string":"Tm4 Be4 Si2 O14\n1.0\n7.262248 0.000000 0.000000\n0.000000 7.262248 0.000000\n0.000000 0.000000 4.741459\nTm Be Si O\n4 4 2 14\ndirect\n0.157845 0.342155 0.510771 Tm\n0.842155 0.657845 0.510771 Tm\n0.657845 0.157845 0.489229 Tm\n0.342155 0.842155 0.489229 Tm\n0.637093 0.862907 0.957869 Be\n0.362907 0.137093 0.957869 Be\n0.137093 0.637093 0.042131 Be\n0.862907 0.362907 0.042131 Be\n0.000000 0.000000 0.000000 Si\n0.500000 0.500000 0.000000 Si\n0.000000 0.500000 0.187481 O\n0.500000 0.000000 0.812519 O\n0.640947 0.859053 0.293220 O\n0.359053 0.140947 0.293220 O\n0.140947 0.640947 0.706780 O\n0.859053 0.359053 0.706780 O\n0.083566 0.837579 0.203769 O\n0.916434 0.162421 0.203769 O\n0.162421 0.083566 0.796231 O\n0.416434 0.337579 0.796231 O\n0.837579 0.916434 0.796231 O\n0.583566 0.662421 0.796231 O\n0.337579 0.583566 0.203769 O\n0.662421 0.416434 0.203769 O\n","nsites":24,"nelements":4,"elements":["Tm","Be","Si","O"],"chemical_system":"Be-O-Si-Tm","density":6.586943319212821,"density_atomic":0.09597477240802636,"volume":250.0657141229426,"volume_molar":6.274712207076168,"formula_full":"Tm4 Be4 Si2 O14","formula_reduced":"Tm2Be2SiO7","formula_anonymous":"AB2C2D7","energy":-199.35653026,"energy_per_atom":-8.306522094166667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-189.73853026,"band_gap":5.3393,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:36:36.626000Z","spacegroup":113},{"id":"mp-1030755","created_at":"2022-09-04T14:43:56.423740Z","structure_string":"Na1 Mg6 B1 O8\n1.0\n8.400224 0.000000 0.000000\n0.000000 4.279230 0.000000\n0.000000 0.000000 4.279230\nNa Mg B O\n1 6 1 8\ndirect\n0.000000 -0.000000 -0.000000 Na\n0.500000 -0.000000 -0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.229722 0.000000 0.500000 Mg\n0.770278 -0.000000 0.500000 Mg\n0.229722 0.500000 0.000000 Mg\n0.770278 0.500000 -0.000000 Mg\n0.000000 0.500000 0.500000 B\n0.265181 0.000000 0.000000 O\n0.734819 -0.000000 -0.000000 O\n0.181001 0.500000 0.500000 O\n0.818999 0.500000 0.500000 O\n0.000000 -0.000000 0.500000 O\n0.500000 -0.000000 0.500000 O\n0.000000 0.500000 -0.000000 O\n0.500000 0.500000 -0.000000 O\n","nsites":16,"nelements":4,"elements":["Na","Mg","B","O"],"chemical_system":"B-Mg-Na-O","density":3.320855406260879,"density_atomic":0.10401545099110097,"volume":153.823300745664,"volume_molar":5.789659807863759,"formula_full":"Na1 Mg6 B1 O8","formula_reduced":"NaMg6BO8","formula_anonymous":"ABC6D8","energy":-97.57971174,"energy_per_atom":-6.09873198375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-92.08371174,"band_gap":1.6861999999999997,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:36:23.420000Z","spacegroup":123},{"id":"mp-697085","created_at":"2022-09-04T14:43:55.770485Z","structure_string":"H8 O4\n1.0\n-2.358038 2.358038 3.459068\n2.358038 -2.358038 3.459068\n2.358038 2.358038 -3.459068\nH O\n8 4\ndirect\n0.681117 0.849063 0.167947 H\n0.599063 0.931117 0.667947 H\n0.263170 0.931117 0.332053 H\n0.681117 0.513170 0.832053 H\n0.068883 0.400937 0.332053 H\n0.150937 0.318883 0.832053 H\n0.486830 0.318883 0.167947 H\n0.068883 0.736830 0.667947 H\n0.766494 0.766494 0.000000 O\n0.516494 0.016494 0.500000 O\n0.983506 0.483506 0.500000 O\n0.233506 0.233506 0.000000 O\n","nsites":12,"nelements":2,"elements":["H","O"],"chemical_system":"H-O","density":1.5553545902534607,"density_atomic":0.15597699748416924,"volume":76.93442105922016,"volume_molar":3.8609159408977676,"formula_full":"H8 O4","formula_reduced":"H2O","formula_anonymous":"AB2","energy":-61.541575730000005,"energy_per_atom":-5.128464644166667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-58.79357573,"band_gap":5.2923,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:36:22.156000Z","spacegroup":141},{"id":"mp-542139","created_at":"2022-09-04T14:43:43.686502Z","structure_string":"Mn4 P8 O24\n1.0\n4.293078 6.126509 0.000000\n-4.293078 6.126509 0.000000\n0.000000 5.035778 9.012856\nMn P O\n4 8 24\ndirect\n0.000000 0.500000 0.500000 Mn\n0.500000 0.000000 0.000000 Mn\n0.542500 0.457500 0.750000 Mn\n0.457500 0.542500 0.250000 Mn\n0.801232 0.813111 0.693651 P\n0.186889 0.198768 0.806349 P\n0.198768 0.186889 0.306349 P\n0.813111 0.801232 0.193651 P\n0.758235 0.224556 0.477080 P\n0.775444 0.241765 0.022920 P\n0.241765 0.775444 0.522920 P\n0.224556 0.758235 0.977080 P\n0.035152 0.801701 0.655681 O\n0.198299 0.964848 0.844319 O\n0.964848 0.198299 0.344319 O\n0.801701 0.035152 0.155681 O\n0.734853 0.996603 0.560052 O\n0.003397 0.265147 0.939948 O\n0.265147 0.003397 0.439948 O\n0.996603 0.734853 0.060052 O\n0.695461 0.851881 0.838639 O\n0.148119 0.304539 0.661361 O\n0.304539 0.148119 0.161361 O\n0.851881 0.695461 0.338639 O\n0.780632 0.629454 0.676103 O\n0.370546 0.219368 0.823897 O\n0.219368 0.370546 0.323897 O\n0.629454 0.780632 0.176103 O\n0.786826 0.305072 0.579915 O\n0.694928 0.213174 0.920085 O\n0.213174 0.694928 0.420085 O\n0.305072 0.786826 0.079915 O\n0.407002 0.667674 0.588824 O\n0.332326 0.592998 0.911176 O\n0.592998 0.332326 0.411176 O\n0.667674 0.407002 0.088824 O\n","nsites":36,"nelements":3,"elements":["Mn","P","O"],"chemical_system":"Mn-O-P","density":2.9824535209577854,"density_atomic":0.07593259073818047,"volume":474.10472433542895,"volume_molar":7.930903847024863,"formula_full":"Mn4 P8 O24","formula_reduced":"Mn(PO3)2","formula_anonymous":"AB2C6","energy":-292.1550239,"energy_per_atom":-8.115417330555555,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-268.9950239,"band_gap":4.1103,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:36:22.021000Z","spacegroup":15},{"id":"mp-556861","created_at":"2022-09-04T14:43:54.262445Z","structure_string":"Li2 Y2 P8 O24\n1.0\n3.566050 8.229229 0.000000\n-3.566050 8.229229 0.000000\n0.000000 5.710773 7.829044\nLi Y P O\n2 2 8 24\ndirect\n0.205806 0.794194 0.250000 Li\n0.794194 0.205806 0.750000 Li\n0.703130 0.296870 0.250000 Y\n0.296870 0.703130 0.750000 Y\n0.203243 0.504712 0.597587 P\n0.914050 0.811424 0.158627 P\n0.085950 0.188576 0.841373 P\n0.796757 0.495288 0.402413 P\n0.188576 0.085950 0.341373 P\n0.504712 0.203243 0.097587 P\n0.495288 0.796757 0.902413 P\n0.811424 0.914050 0.658627 P\n0.930595 0.937198 0.703657 O\n0.675759 0.834074 0.839787 O\n0.487371 0.655848 0.082814 O\n0.165926 0.324241 0.660213 O\n0.512629 0.344152 0.917186 O\n0.069405 0.062802 0.296343 O\n0.717112 0.969672 0.079600 O\n0.062802 0.069405 0.796343 O\n0.743383 0.509599 0.271752 O\n0.490401 0.256617 0.228248 O\n0.100678 0.674940 0.040625 O\n0.282888 0.030328 0.920400 O\n0.325060 0.899322 0.459375 O\n0.969672 0.717112 0.579600 O\n0.509599 0.743383 0.771752 O\n0.324241 0.165926 0.160213 O\n0.937198 0.930595 0.203657 O\n0.030328 0.282888 0.420400 O\n0.344152 0.512629 0.417186 O\n0.674940 0.100678 0.540625 O\n0.256617 0.490401 0.728248 O\n0.899322 0.325060 0.959375 O\n0.834074 0.675759 0.339787 O\n0.655848 0.487371 0.582814 O\n","nsites":36,"nelements":4,"elements":["Li","Y","P","O"],"chemical_system":"Li-O-P-Y","density":2.9758514992026686,"density_atomic":0.0783460662026777,"volume":459.49977765149873,"volume_molar":7.686589833905632,"formula_full":"Li2 Y2 P8 O24","formula_reduced":"LiY(PO3)4","formula_anonymous":"ABC4D12","energy":-284.07287714,"energy_per_atom":-7.890913253888889,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-267.58487714,"band_gap":5.8405000000000005,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:36:26.369000Z","spacegroup":15}]}