{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=nelements&page=4587","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=nelements&page=4585","results":[{"id":"jvasp-96816","created_at":"2022-09-04T14:36:15.494047Z","updated_at":"2022-09-04T14:36:15.494080Z","structure_string":"Na3 Nd3 H6 S6 O27\n1.0\n6.972492 -0.000000 -0.000000\n-3.486246 6.038355 0.000000\n0.000000 0.000000 12.884591\nNa Nd H S O\n3 3 6 6 27\ndirect\n0.529221 0.529222 0.500000 Na\n0.470778 0.000000 0.833333 Na\n-0.000000 0.470779 0.166667 Na\n0.432926 0.000000 0.333333 Nd\n-0.000000 0.432927 0.666667 Nd\n0.567073 0.567074 0.000000 Nd\n0.043571 0.099855 0.372311 H\n0.099855 0.043571 0.627689 H\n0.943716 0.900146 0.294355 H\n0.956429 0.056284 0.961022 H\n0.900145 0.943717 0.705645 H\n0.056284 0.956430 0.038978 H\n0.545269 0.558283 0.244336 S\n0.441717 0.986987 0.577669 S\n0.013013 0.454731 0.911003 S\n0.986986 0.441717 0.422331 S\n0.558283 0.545270 0.755663 S\n0.454730 0.013013 0.088997 S\n0.388507 0.130048 0.511413 O\n0.869952 0.258460 0.844747 O\n0.167550 0.409401 0.970629 O\n0.241850 0.832450 0.637296 O\n0.132925 0.643385 0.838235 O\n0.643384 0.132925 0.161765 O\n0.121104 0.617886 0.346938 O\n0.617885 0.121105 0.653061 O\n0.510459 0.867076 0.504901 O\n0.832449 0.241850 0.362704 O\n0.496780 0.878896 0.013606 O\n0.758150 0.590600 0.696038 O\n0.077781 0.000000 0.333333 O\n0.590599 0.758151 0.303962 O\n0.356616 0.489541 0.171568 O\n0.867075 0.510459 0.495099 O\n0.503219 0.382115 0.319727 O\n0.382115 0.503220 0.680272 O\n0.409400 0.167551 0.029371 O\n0.130048 0.388508 0.488587 O\n0.878895 0.496781 0.986394 O\n0.922219 0.922220 0.000000 O\n0.611492 0.741541 0.821920 O\n-0.000000 0.077781 0.666667 O\n0.489541 0.356616 0.828432 O\n0.741540 0.611493 0.178080 O\n0.258459 0.869953 0.155253 O\n","nsites":45,"nelements":5,"elements":["Na","Nd","H","S","O"],"chemical_system":"H-Na-Nd-O-S","density":3.465476904230123,"density_atomic":0.08295359461976597,"volume":542.4719713023445,"volume_molar":7.259650154527554,"formula_full":"Na3 Nd3 H6 S6 O27","formula_reduced":"NaNdH2S2O9","formula_anonymous":"ABC2D2E9","energy_above_hull":2.4849481333333334,"spacegroup":152},{"id":"jvasp-100564","created_at":"2022-09-04T14:36:39.604932Z","updated_at":"2022-09-04T14:36:39.604952Z","structure_string":"Ba1 Sr1 Zn1 W1 O6\n1.0\n4.965081 0.000000 2.866591\n1.655027 4.681123 2.866591\n0.000000 0.000000 5.733181\nBa Sr Zn W O\n1 1 1 1 6\ndirect\n0.750001 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Sr\n0.500000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 W\n0.760689 0.239311 0.239311 O\n0.760690 0.760689 0.239311 O\n0.239311 0.760689 0.239311 O\n0.239311 0.239311 0.760689 O\n0.760689 0.239311 0.760689 O\n0.239311 0.760689 0.760689 O\n","nsites":10,"nelements":5,"elements":["Ba","Sr","Zn","W","O"],"chemical_system":"Ba-O-Sr-W-Zn","density":7.10556273649504,"density_atomic":0.0750460704018003,"volume":133.2514806765966,"volume_molar":8.024591731128847,"formula_full":"Ba1 Sr1 Zn1 W1 O6","formula_reduced":"BaSrZnWO6","formula_anonymous":"ABCDE6","energy_above_hull":2.126279368,"spacegroup":216},{"id":"jvasp-99453","created_at":"2022-09-04T14:36:35.510422Z","updated_at":"2022-09-04T14:36:35.510443Z","structure_string":"Ba1 Sr1 Bi1 Sb1 O6\n1.0\n5.249682 -0.007112 2.898626\n1.707395 4.964274 2.898626\n-0.009981 -0.007112 5.996757\nBa Sr Bi Sb O\n1 1 1 1 6\ndirect\n0.749560 0.749561 0.749563 Ba\n0.261868 0.261868 0.261868 Sr\n0.000908 0.000908 0.000908 Bi\n0.500577 0.500577 0.500578 Sb\n0.812326 0.276491 0.646551 O\n0.276490 0.646550 0.812328 O\n0.646549 0.812326 0.276492 O\n0.206029 0.717078 0.328613 O\n0.717077 0.328611 0.206031 O\n0.328611 0.206030 0.717079 O\n","nsites":10,"nelements":5,"elements":["Ba","Sr","Bi","Sb","O"],"chemical_system":"Ba-Bi-O-Sb-Sr","density":6.911568200151691,"density_atomic":0.06386906746498403,"volume":156.57031481604866,"volume_molar":9.428884746597586,"formula_full":"Ba1 Sr1 Bi1 Sb1 O6","formula_reduced":"BaSrBiSbO6","formula_anonymous":"ABCDE6","energy_above_hull":1.713613368,"spacegroup":146},{"id":"jvasp-103541","created_at":"2022-09-04T14:36:36.280636Z","updated_at":"2022-09-04T14:36:36.280664Z","structure_string":"Sr2 Fe2 Se2 O1 F2\n1.0\n3.975639 -0.000000 -0.854862\n-0.183794 3.971410 -0.854754\n0.031347 0.032396 9.817790\nSr Fe Se O F\n2 2 2 1 2\ndirect\n0.673659 0.673651 0.347317 Sr\n0.326343 0.326350 0.652683 Sr\n1.000001 0.500001 0.999999 Fe\n0.500001 0.000002 0.000003 Fe\n0.903574 0.903580 0.807144 Se\n0.096429 0.096421 0.192857 Se\n0.500001 0.500000 0.000000 O\n0.750001 0.249998 0.500001 F\n0.250001 0.750002 0.500000 F\n","nsites":9,"nelements":5,"elements":["Sr","Fe","Se","O","F"],"chemical_system":"F-Fe-O-Se-Sr","density":5.336173636143642,"density_atomic":0.05797712705826631,"volume":155.23363189340355,"volume_molar":10.387097577201128,"formula_full":"Sr2 Fe2 Se2 O1 F2","formula_reduced":"Sr2Fe2Se2OF2","formula_anonymous":"AB2C2D2E2","energy_above_hull":1.1613316020370368,"spacegroup":139},{"id":"jvasp-48295","created_at":"2022-09-04T14:36:31.792529Z","updated_at":"2022-09-04T14:36:31.792549Z","structure_string":"Li1 Mn1 P3 H1 O10\n1.0\n4.660981 4.100991 -0.018650\n-4.660981 4.100991 0.018650\n-2.703889 0.000000 5.875068\nLi Mn P H O\n1 1 3 1 10\ndirect\n-0.110124 -0.110124 0.500000 Li\n0.679373 0.679373 -0.000000 Mn\n0.202683 0.560661 0.088634 P\n0.580768 0.580768 0.500000 P\n0.560661 0.202683 0.911366 P\n0.230922 0.230922 0.000000 H\n0.357236 0.673249 0.937732 O\n0.699550 0.990655 -0.001285 O\n0.618939 0.754574 0.628206 O\n0.326187 0.595520 0.339255 O\n0.305865 0.166869 0.877747 O\n0.166869 0.305865 0.122253 O\n0.595520 0.326187 0.660745 O\n0.754574 0.618939 0.371794 O\n0.990655 0.699550 0.001285 O\n0.673249 0.357236 0.062268 O\n","nsites":16,"nelements":5,"elements":["Li","Mn","P","H","O"],"chemical_system":"H-Li-Mn-O-P","density":2.3391377904379076,"density_atomic":0.07136930075297902,"volume":224.186027202069,"volume_molar":8.437998826475303,"formula_full":"Li1 Mn1 P3 H1 O10","formula_reduced":"LiMnP3HO10","formula_anonymous":"ABCD3E10","energy_above_hull":3.0363817963362068,"spacegroup":5},{"id":"jvasp-99619","created_at":"2022-09-04T14:36:31.265080Z","updated_at":"2022-09-04T14:36:31.265108Z","structure_string":"La2 Mn1 Fe1 Se2 O3\n1.0\n4.075725 -0.000377 0.000129\n2.038142 8.999934 1.993034\n-0.000050 -0.000063 3.986068\nLa Mn Fe Se O\n2 1 1 2 3\ndirect\n0.680101 0.639749 0.680066 La\n0.319732 0.360274 0.319759 La\n0.000066 -0.000008 0.500063 Mn\n0.500055 -0.000005 0.000061 Fe\n0.091417 0.817248 0.091408 Se\n0.908641 0.182748 0.908651 Se\n0.500072 -0.000029 0.500068 O\n0.751575 0.496760 0.251589 O\n0.248335 0.503262 0.748334 O\n","nsites":9,"nelements":5,"elements":["La","Mn","Fe","Se","O"],"chemical_system":"Fe-La-Mn-O-Se","density":6.751656503193058,"density_atomic":0.06155211647260707,"volume":146.21755539479017,"volume_molar":9.783807779672486,"formula_full":"La2 Mn1 Fe1 Se2 O3","formula_reduced":"La2MnFeSe2O3","formula_anonymous":"ABC2D2E3","energy_above_hull":2.590432219412516,"spacegroup":71},{"id":"jvasp-85920","created_at":"2022-09-04T14:36:19.430202Z","updated_at":"2022-09-04T14:36:19.430230Z","structure_string":"K2 Na2 Nd2 Nb2 O10\n1.0\n5.769772 -0.000000 -0.000000\n0.000000 5.769772 -0.000000\n0.000000 0.000000 8.303905\nK Na Nd Nb O\n2 2 2 2 10\ndirect\n0.250000 0.750000 0.000000 K\n0.750000 0.250000 0.000000 K\n0.250000 0.250000 0.757842 Na\n0.750000 0.750000 0.242159 Na\n0.250000 0.750000 0.500000 Nd\n0.750000 0.250000 0.500000 Nd\n0.250000 0.250000 0.255824 Nb\n0.750000 0.750000 0.744176 Nb\n0.981976 0.518023 0.671544 O\n0.518023 0.981976 0.671544 O\n0.250000 0.250000 0.030513 O\n0.481976 0.481976 0.328457 O\n0.981976 0.981976 0.671544 O\n0.750000 0.750000 0.969487 O\n0.518023 0.518023 0.671544 O\n0.018024 0.018024 0.328457 O\n0.481976 0.018024 0.328457 O\n0.018024 0.481976 0.328457 O\n","nsites":18,"nelements":5,"elements":["K","Na","Nd","Nb","O"],"chemical_system":"K-Na-Nb-Nd-O","density":4.556024529824503,"density_atomic":0.06511376825427656,"volume":276.4392306356466,"volume_molar":9.248644213744267,"formula_full":"K2 Na2 Nd2 Nb2 O10","formula_reduced":"KNaNdNbO5","formula_anonymous":"ABCDE5","energy_above_hull":1.9927872666666668,"spacegroup":129},{"id":"jvasp-101897","created_at":"2022-09-04T14:36:40.228944Z","updated_at":"2022-09-04T14:36:40.228977Z","structure_string":"Al1 H16 C10 Cl1 O4\n1.0\n4.617430 -0.029586 0.731433\n-0.012100 6.438320 2.086394\n0.195199 -0.135912 10.086828\nAl H C Cl O\n1 16 10 1 4\ndirect\n0.159652 0.725049 0.968043 Al\n0.230502 0.274128 0.433456 H\n0.606300 0.455836 0.504667 H\n0.614735 0.244646 0.656239 H\n0.083026 0.302577 0.743320 H\n0.078282 0.518153 0.595346 H\n0.335422 0.882911 0.205433 H\n0.182147 0.089353 0.265327 H\n0.212758 0.067296 0.590740 H\n0.360470 0.811607 0.453262 H\n0.759333 0.195761 0.364992 H\n0.740191 0.994704 0.524959 H\n0.322324 0.187273 0.962483 H\n0.678558 0.304093 0.896288 H\n0.557707 0.326422 0.132125 H\n0.822158 0.133830 0.133047 H\n0.710291 0.828268 0.350353 H\n0.552586 0.172421 0.973052 C\n0.592731 0.168499 0.123661 C\n0.612500 0.077407 0.443564 C\n0.520000 0.921350 0.375558 C\n0.390001 0.013466 0.241342 C\n0.470115 0.331385 0.583601 C\n0.361364 0.185753 0.512119 C\n0.324684 0.565161 0.740381 C\n0.673583 0.977389 0.947297 C\n0.223176 0.425059 0.665529 C\n0.015879 0.560794 0.183116 Cl\n0.556179 0.661233 0.701729 O\n0.951534 0.959938 0.928086 O\n0.517886 0.823741 0.953302 O\n0.137343 0.574934 0.855835 O\n","nsites":32,"nelements":5,"elements":["Al","H","C","Cl","O"],"chemical_system":"Al-C-Cl-H-O","density":1.4527204060327015,"density_atomic":0.106580747559728,"volume":300.24184229020494,"volume_molar":5.650308238479172,"formula_full":"Al1 H16 C10 Cl1 O4","formula_reduced":"AlH16C10ClO4","formula_anonymous":"ABC4D10E16","energy_above_hull":4.533682527109375,"spacegroup":1},{"id":"jvasp-101372","created_at":"2022-09-04T14:36:31.669246Z","updated_at":"2022-09-04T14:36:31.669271Z","structure_string":"Rb4 Er4 Se4 Cl8 O12\n1.0\n6.511818 0.000000 -0.815699\n0.000000 6.926431 0.000000\n-0.012108 0.000000 16.615293\nRb Er Se Cl O\n4 4 4 8 12\ndirect\n0.177675 0.198958 0.940092 Rb\n0.677676 0.301042 0.440092 Rb\n0.822325 0.801042 0.059908 Rb\n0.322325 0.698958 0.559907 Rb\n0.876647 0.653257 0.740402 Er\n0.623353 0.153257 0.759598 Er\n0.123353 0.346743 0.259598 Er\n0.376647 0.846743 0.240402 Er\n0.923590 0.841232 0.297518 Se\n0.423589 0.658768 0.797518 Se\n0.576411 0.341232 0.202482 Se\n0.076410 0.158768 0.702482 Se\n0.674362 0.135681 0.918766 Cl\n0.493494 0.162211 0.604020 Cl\n0.993494 0.337789 0.104020 Cl\n0.006506 0.662211 0.895979 Cl\n0.325638 0.864319 0.081234 Cl\n0.825638 0.635681 0.581233 Cl\n0.506506 0.837789 0.395979 Cl\n0.174362 0.364319 0.418766 Cl\n0.423674 0.169768 0.243251 O\n0.716838 0.851633 0.225295 O\n0.919713 0.975948 0.732208 O\n0.419713 0.524051 0.232208 O\n0.923674 0.330232 0.743251 O\n0.576326 0.830232 0.756749 O\n0.080287 0.024051 0.267792 O\n0.216837 0.648367 0.725295 O\n0.076326 0.669768 0.256749 O\n0.580287 0.475949 0.767792 O\n0.283162 0.148367 0.774705 O\n0.783163 0.351633 0.274705 O\n","nsites":32,"nelements":5,"elements":["Rb","Er","Se","Cl","O"],"chemical_system":"Cl-Er-O-Rb-Se","density":3.9940314217137,"density_atomic":0.042704127565326246,"volume":749.3420852831683,"volume_molar":14.102010984272388,"formula_full":"Rb4 Er4 Se4 Cl8 O12","formula_reduced":"RbErSeCl2O3","formula_anonymous":"ABCD2E3","energy_above_hull":1.0817215002083334,"spacegroup":14},{"id":"jvasp-8406","created_at":"2022-09-04T14:36:39.102056Z","updated_at":"2022-09-04T14:36:39.102077Z","structure_string":"Ba1 Al1 Cu1 Ag1 O5\n1.0\n3.761167 0.000000 0.000000\n0.000000 3.761167 0.000000\n0.000000 0.000000 8.176877\nBa Al Cu Ag O\n1 1 1 1 5\ndirect\n0.000000 0.000000 0.007290 Ba\n0.000000 0.000000 0.458573 Al\n0.500000 0.500000 0.250485 Cu\n0.500000 0.500000 0.695270 Ag\n0.000000 0.500000 0.594308 O\n0.500000 0.000000 0.594308 O\n0.000000 0.500000 0.304779 O\n0.500000 0.000000 0.304779 O\n0.500000 0.500000 0.978140 O\n","nsites":9,"nelements":5,"elements":["Ba","Al","Cu","Ag","O"],"chemical_system":"Ag-Al-Ba-Cu-O","density":5.967838254765559,"density_atomic":0.07780541266312073,"volume":115.6731863754505,"volume_molar":7.740002339007524,"formula_full":"Ba1 Al1 Cu1 Ag1 O5","formula_reduced":"BaAlCuAgO5","formula_anonymous":"ABCDE5","energy_above_hull":1.5258815533333334,"spacegroup":99},{"id":"jvasp-88176","created_at":"2022-09-04T14:36:19.546620Z","updated_at":"2022-09-04T14:36:19.546644Z","structure_string":"Sr8 Li4 C4 Br12 N8\n1.0\n8.945669 0.000000 5.164784\n2.981889 8.434059 5.164784\n0.000000 0.000000 10.329570\nSr Li C Br N\n8 4 4 12 8\ndirect\n0.833695 0.222102 0.222101 Sr\n0.166306 0.777898 0.777898 Sr\n0.777898 0.166305 0.777898 Sr\n0.222102 0.222102 0.833694 Sr\n0.777898 0.777898 0.166305 Sr\n0.777898 0.777898 0.777898 Sr\n0.222102 0.833695 0.222101 Sr\n0.222102 0.222102 0.222102 Sr\n0.500000 0.500000 0.500000 Li\n0.000000 0.500000 0.500000 Li\n0.500000 -0.000000 0.500000 Li\n0.500000 0.500000 -0.000000 Li\n0.500000 -0.000000 -0.000000 C\n0.000000 0.000000 0.000000 C\n-0.000000 -0.000000 0.500000 C\n0.000000 0.500000 -0.000000 C\n0.428794 0.821206 0.821206 Br\n0.571206 0.178794 0.178793 Br\n0.428794 0.821206 0.428793 Br\n0.178794 0.571206 0.571206 Br\n0.821206 0.428794 0.821206 Br\n0.428794 0.428794 0.821206 Br\n0.821206 0.821206 0.428793 Br\n0.571206 0.178794 0.571206 Br\n0.821206 0.428794 0.428793 Br\n0.178794 0.178794 0.571206 Br\n0.571206 0.571206 0.178793 Br\n0.178794 0.571206 0.178793 Br\n0.048618 0.048618 0.354144 N\n0.354144 0.048618 0.048618 N\n0.951382 0.951382 0.645856 N\n0.951382 0.951382 0.951381 N\n0.048619 0.354144 0.048618 N\n0.048618 0.048618 0.048618 N\n0.645857 0.951382 0.951381 N\n0.951382 0.645857 0.951381 N\n","nsites":36,"nelements":5,"elements":["Sr","Li","C","Br","N"],"chemical_system":"Br-C-Li-N-Sr","density":3.9367825426593583,"density_atomic":0.04619242881339197,"volume":779.3484976820051,"volume_molar":13.037073205932135,"formula_full":"Sr8 Li4 C4 Br12 N8","formula_reduced":"Sr2LiCBr3N2","formula_anonymous":"ABC2D2E3","energy_above_hull":1.880663492777778,"spacegroup":227},{"id":"jvasp-85550","created_at":"2022-09-04T14:36:18.090749Z","updated_at":"2022-09-04T14:36:18.090769Z","structure_string":"Rb2 Cd2 H4 I6 O2\n1.0\n5.461390 4.945281 -0.083493\n-5.461390 4.945281 0.083493\n-0.043391 0.000000 8.816563\nRb Cd H I O\n2 2 4 6 2\ndirect\n0.508031 0.719008 0.824673 Rb\n0.280992 0.491969 0.324673 Rb\n0.970706 0.966014 0.496979 Cd\n0.033986 0.029294 -0.003021 Cd\n0.126657 0.487072 0.680231 H\n0.512928 0.873343 0.180232 H\n0.274219 0.351428 0.703001 H\n0.648571 0.725781 0.203001 H\n0.796040 0.614206 0.487487 I\n0.385794 0.203960 0.987487 I\n0.846114 0.171722 0.242853 I\n0.828278 0.153886 0.742853 I\n0.348714 -0.004199 0.486657 I\n0.004199 0.651286 0.986656 I\n0.250620 0.465650 0.650617 O\n0.534349 0.749379 0.150617 O\n","nsites":16,"nelements":5,"elements":["Rb","Cd","H","I","O"],"chemical_system":"Cd-H-I-O-Rb","density":4.16080148934441,"density_atomic":0.033599219147461674,"volume":476.2015429518919,"volume_molar":17.923454511159242,"formula_full":"Rb2 Cd2 H4 I6 O2","formula_reduced":"RbCdH2I3O","formula_anonymous":"ABCD2E3","energy_above_hull":0.423310259375,"spacegroup":9}]}