{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=nelements&page=4570","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=nelements&page=4568","results":[{"id":"jvasp-112101","created_at":"2022-09-04T14:38:42.906415Z","updated_at":"2022-09-04T14:38:42.906443Z","structure_string":"H2 C6 S2 N2 O4\n1.0\n4.867048 0.057081 0.555808\n1.946292 6.117018 1.367133\n0.001782 -0.095634 6.470801\nH C S N O\n2 6 2 2 4\ndirect\n0.211814 0.178614 0.605224 H\n0.711817 0.678614 0.105223 H\n0.669337 0.244415 0.721220 C\n0.410226 0.214016 0.860210 C\n0.169340 0.744415 0.221220 C\n0.910230 0.714015 0.360210 C\n0.393096 0.785255 0.337375 C\n0.893093 0.285255 0.837376 C\n0.699982 0.245104 0.468540 S\n0.199985 0.745105 0.968539 S\n0.174996 0.218343 0.753877 N\n0.674999 0.718344 0.253876 N\n0.322030 0.880616 0.489800 O\n0.822027 0.380617 0.989800 O\n0.409934 0.179855 0.053156 O\n0.909938 0.679853 0.553154 O\n","nsites":16,"nelements":5,"elements":["H","C","S","N","O"],"chemical_system":"C-H-N-O-S","density":1.9863858511108357,"density_atomic":0.08313605480920006,"volume":192.45560830040012,"volume_molar":7.243717270227712,"formula_full":"H2 C6 S2 N2 O4","formula_reduced":"HC3SNO2","formula_anonymous":"ABCD2E3","energy_above_hull":4.70525628125,"spacegroup":1},{"id":"jvasp-57133","created_at":"2022-09-04T14:38:31.521207Z","updated_at":"2022-09-04T14:38:31.521228Z","structure_string":"Li2 Pr4 C4 N8 F6\n1.0\n6.594394 0.000000 0.000000\n-3.297197 5.278673 -2.481479\n0.000000 0.015921 8.535882\nLi Pr C N F\n2 4 4 8 6\ndirect\n0.905134 -0.000000 0.750000 Li\n0.094865 -0.000000 0.250000 Li\n0.290577 0.572966 0.667852 Pr\n0.709422 0.427033 0.332147 Pr\n0.717610 0.427033 0.832147 Pr\n0.282389 0.572966 0.167853 Pr\n0.274109 0.047826 0.952974 C\n0.773715 0.047826 0.452974 C\n0.226283 0.952173 0.547025 C\n0.725889 0.952173 0.047025 C\n0.712084 0.827250 0.366966 N\n0.163372 0.727351 0.463662 N\n0.884834 0.172750 0.133033 N\n0.836627 0.272648 0.536338 N\n0.287915 0.172750 0.633033 N\n0.563977 0.727351 0.963662 N\n0.436022 0.272648 0.036338 N\n0.115165 0.827249 0.866966 N\n0.307182 0.370456 0.365377 F\n0.393884 -0.000000 0.250000 F\n0.692816 0.629543 0.634623 F\n0.606115 -0.000000 0.750000 F\n0.936725 0.629543 0.134623 F\n0.063273 0.370456 0.865377 F\n","nsites":24,"nelements":5,"elements":["Li","Pr","C","N","F"],"chemical_system":"C-F-Li-N-Pr","density":4.755057481201446,"density_atomic":0.08070167688131845,"volume":297.3915899578505,"volume_molar":7.462225064859909,"formula_full":"Li2 Pr4 C4 N8 F6","formula_reduced":"LiPr2C2N4F3","formula_anonymous":"AB2C2D3E4","energy_above_hull":3.5248119622916656,"spacegroup":15},{"id":"jvasp-112018","created_at":"2022-09-04T14:38:42.783750Z","updated_at":"2022-09-04T14:38:42.783770Z","structure_string":"H10 C16 S2 N2 O2\n1.0\n3.611943 -0.008078 0.133957\n1.006654 8.722844 2.979385\n-0.013755 -0.135482 10.213688\nH C S N O\n10 16 2 2 2\ndirect\n0.217100 0.664234 0.812363 H\n0.243237 0.006173 0.153382 H\n0.676245 0.771200 0.637707 H\n0.676243 0.271200 0.137706 H\n0.693537 0.612387 0.479512 H\n0.243238 0.506173 0.653382 H\n0.593329 0.183383 0.491697 H\n0.593328 0.683383 0.991698 H\n0.217099 0.164234 0.312363 H\n0.693536 0.112388 0.979512 H\n0.477473 0.800424 0.305595 C\n0.333608 0.955499 0.259924 C\n0.333610 0.455500 0.759923 C\n0.317017 0.042763 0.348052 C\n0.317017 0.542763 0.848052 C\n0.454444 0.084504 0.683832 C\n0.454442 0.584504 0.183833 C\n0.477474 0.300425 0.805595 C\n0.580188 0.732113 0.444154 C\n0.452902 0.477507 0.983184 C\n0.580188 0.232114 0.944154 C\n0.569857 0.820779 0.533175 C\n0.569855 0.320779 0.033175 C\n0.572851 0.234234 0.692179 C\n0.572849 0.734234 0.192180 C\n0.452902 0.977507 0.483184 C\n0.264304 0.460461 0.314187 S\n0.264304 0.960461 0.814187 S\n0.505956 0.582427 0.053177 N\n0.505958 0.082427 0.553177 N\n0.741902 0.811817 0.092100 O\n0.741903 0.311817 0.592100 O\n","nsites":32,"nelements":5,"elements":["H","C","S","N","O"],"chemical_system":"C-H-N-O-S","density":1.6762384484137305,"density_atomic":0.09896829966504107,"volume":323.33585712095925,"volume_molar":6.084918888555203,"formula_full":"H10 C16 S2 N2 O2","formula_reduced":"H5C8SNO","formula_anonymous":"ABCD5E8","energy_above_hull":5.502782296874999,"spacegroup":1},{"id":"jvasp-112090","created_at":"2022-09-04T14:38:42.577814Z","updated_at":"2022-09-04T14:38:42.577834Z","structure_string":"H6 C4 S2 N2 O2\n1.0\n5.422659 0.066672 0.726099\n2.409676 5.130241 1.555098\n0.039060 -0.116035 6.093504\nH C S N O\n6 4 2 2 2\ndirect\n0.937974 0.076248 0.889239 H\n0.437975 0.576252 0.389240 H\n0.659307 0.086445 0.750090 H\n0.159310 0.586443 0.250093 H\n0.163659 0.125835 0.533990 H\n0.663662 0.625834 0.033993 H\n0.808798 0.164801 0.740450 C\n0.308800 0.664801 0.240451 C\n0.939672 0.012952 0.384448 C\n0.439674 0.512951 0.884449 C\n0.668473 0.966544 0.360588 S\n0.168474 0.466545 0.860588 S\n0.976577 0.123316 0.539673 N\n0.476579 0.623315 0.039675 N\n0.161735 0.946221 0.236475 O\n0.661737 0.446219 0.736477 O\n","nsites":16,"nelements":5,"elements":["H","C","S","N","O"],"chemical_system":"C-H-N-O-S","density":1.749459144940349,"density_atomic":0.09457741727522738,"volume":169.17357717052897,"volume_molar":6.367419341210301,"formula_full":"H6 C4 S2 N2 O2","formula_reduced":"H3C2SNO","formula_anonymous":"ABCD2E3","energy_above_hull":4.23164584375,"spacegroup":1},{"id":"jvasp-112082","created_at":"2022-09-04T14:38:42.521184Z","updated_at":"2022-09-04T14:38:42.521209Z","structure_string":"Al1 H6 C5 Cl1 O4\n1.0\n4.677305 -0.025715 1.238956\n0.260252 5.906839 0.338095\n-0.034912 -0.213391 6.762421\nAl H C Cl O\n1 6 5 1 4\ndirect\n0.074651 0.687940 0.440232 Al\n0.517413 0.267184 0.574967 H\n0.802016 0.101539 0.634754 H\n0.423508 0.893664 0.908390 H\n0.157274 0.076371 0.844546 H\n0.512761 0.399437 0.898937 H\n0.619861 0.194485 0.056191 H\n0.576338 0.101072 0.632849 C\n0.382232 0.064052 0.850288 C\n0.534609 0.928245 0.488041 C\n0.194312 0.324403 0.159880 C\n0.441672 0.246623 0.988212 C\n0.015944 0.555692 0.743212 Cl\n0.728632 0.778429 0.409177 O\n0.252055 0.515001 0.241203 O\n0.967859 0.229558 0.220320 O\n0.288799 0.926134 0.448217 O\n","nsites":17,"nelements":5,"elements":["Al","H","C","Cl","O"],"chemical_system":"Al-C-Cl-H-O","density":1.706002299485381,"density_atomic":0.09071385636025608,"volume":187.40246178585025,"volume_molar":6.6386117861465355,"formula_full":"Al1 H6 C5 Cl1 O4","formula_reduced":"AlH6C5ClO4","formula_anonymous":"ABC4D5E6","energy_above_hull":4.1528735804411765,"spacegroup":1},{"id":"jvasp-112707","created_at":"2022-09-04T14:38:42.438900Z","updated_at":"2022-09-04T14:38:42.438931Z","structure_string":"Ba6 Bi2 Ru2 Ir2 O18\n1.0\n5.971137 0.003761 0.120662\n-2.966902 5.181890 0.120662\n-0.034362 -0.059312 14.895155\nBa Bi Ru Ir O\n6 2 2 2 18\ndirect\n0.340109 0.673799 0.405803 Ba\n0.325729 0.656831 0.096403 Ba\n0.656832 0.325728 0.596403 Ba\n0.673799 0.340108 0.905803 Ba\n0.994255 0.006292 0.249945 Ba\n0.006293 0.994255 0.749945 Ba\n0.998617 0.999405 0.500661 Bi\n0.999406 0.998615 0.000661 Bi\n0.681453 0.350966 0.335153 Ru\n0.350967 0.681453 0.835153 Ru\n0.649405 0.319218 0.166281 Ir\n0.319218 0.649404 0.666281 Ir\n0.504165 0.026740 0.262792 O\n0.974912 0.497501 0.239977 O\n0.494756 0.508687 0.751445 O\n0.508687 0.494755 0.251445 O\n0.213083 0.866212 0.902987 O\n0.132192 0.787653 0.593966 O\n0.787653 0.132191 0.093966 O\n0.866212 0.213082 0.402987 O\n0.597949 0.786585 0.570430 O\n0.134564 0.318836 0.601044 O\n0.318836 0.134563 0.101044 O\n0.861937 0.677305 0.397033 O\n0.216890 0.403964 0.926075 O\n0.026741 0.504165 0.762792 O\n0.786586 0.597948 0.070430 O\n0.403964 0.216890 0.426075 O\n0.677306 0.861937 0.897033 O\n0.497502 0.974911 0.739977 O\n","nsites":30,"nelements":5,"elements":["Ba","Bi","Ru","Ir","O"],"chemical_system":"Ba-Bi-Ir-O-Ru","density":7.621442598836162,"density_atomic":0.06505698616524666,"volume":461.1341804829249,"volume_molar":9.256716480384728,"formula_full":"Ba6 Bi2 Ru2 Ir2 O18","formula_reduced":"Ba3BiIrRuO9","formula_anonymous":"ABCD3E9","energy_above_hull":2.4344376873333333,"spacegroup":9},{"id":"jvasp-111841","created_at":"2022-09-04T14:38:42.321777Z","updated_at":"2022-09-04T14:38:42.321800Z","structure_string":"Li1 Mn2 P2 H4 O10\n1.0\n4.945232 0.065733 -1.222388\n-1.215496 5.022636 -1.330381\n0.025502 -0.096369 7.532633\nLi Mn P H O\n1 2 2 4 10\ndirect\n0.090104 0.394722 0.920474 Li\n0.989392 0.489936 0.494484 Mn\n0.512276 0.008002 0.002665 Mn\n0.427171 0.588936 0.256399 P\n0.568392 0.424180 0.746629 P\n0.884932 0.936215 0.293593 H\n0.075295 0.124821 0.207118 H\n0.116639 0.023417 0.686326 H\n0.925071 0.855662 0.786537 H\n0.669552 0.729823 0.844941 O\n0.243966 0.346706 0.688911 O\n0.319617 0.286212 0.133877 O\n0.747705 0.662384 0.333977 O\n0.328700 0.738831 0.110788 O\n0.690820 0.280438 0.891007 O\n0.296738 0.650502 0.422202 O\n0.103188 0.878622 0.747141 O\n0.678372 0.339379 0.571255 O\n0.907053 0.103712 0.254526 O\n","nsites":19,"nelements":5,"elements":["Li","Mn","P","H","O"],"chemical_system":"H-Li-Mn-O-P","density":3.0427152812637863,"density_atomic":0.1015633930057236,"volume":187.0752781854113,"volume_molar":5.929440304993181,"formula_full":"Li1 Mn2 P2 H4 O10","formula_reduced":"LiMn2P2(H2O5)2","formula_anonymous":"AB2C2D4E10","energy_above_hull":3.191634762250453,"spacegroup":1},{"id":"jvasp-112769","created_at":"2022-09-04T14:38:42.296104Z","updated_at":"2022-09-04T14:38:42.296133Z","structure_string":"Li2 Fe2 P4 H3 O16\n1.0\n4.798979 -0.018903 -1.143089\n0.262958 7.983408 -0.070326\n0.050736 -0.023833 7.237605\nLi Fe P H O\n2 2 4 3 16\ndirect\n0.360981 0.850538 0.828084 Li\n0.628958 0.149550 0.173478 Li\n0.498308 0.501767 0.001640 Fe\n-0.001690 0.997479 0.496558 Fe\n0.120774 0.341036 0.265086 P\n0.371383 0.849193 0.236623 P\n0.626663 0.152799 0.754314 P\n0.875078 0.659289 0.735654 P\n0.963893 0.014926 0.985112 H\n0.330303 0.396523 0.571029 H\n0.661046 0.604368 0.430182 H\n0.652973 0.682575 0.854460 O\n0.845583 0.165085 0.629941 O\n0.761645 0.554274 0.554543 O\n0.610998 0.962703 0.332625 O\n0.481427 0.668076 0.216783 O\n0.770214 0.079430 0.955175 O\n0.345220 0.319306 0.148177 O\n0.158488 0.834574 0.369487 O\n0.516345 0.330117 0.784627 O\n0.392564 0.034856 0.668349 O\n0.229224 0.446170 0.446934 O\n0.861819 0.429231 0.147968 O\n0.134531 0.569895 0.851242 O\n0.958565 0.836395 0.680983 O\n0.232137 0.924802 0.044771 O\n0.038751 0.163085 0.318165 O\n","nsites":27,"nelements":5,"elements":["Li","Fe","P","H","O"],"chemical_system":"Fe-H-Li-O-P","density":3.039572209903594,"density_atomic":0.09719684620178273,"volume":277.78679098236813,"volume_molar":6.195819098387109,"formula_full":"Li2 Fe2 P4 H3 O16","formula_reduced":"Li2Fe2P4H3O16","formula_anonymous":"A2B2C3D4E16","energy_above_hull":3.0837477407407405,"spacegroup":1},{"id":"jvasp-112019","created_at":"2022-09-04T14:38:43.013042Z","updated_at":"2022-09-04T14:38:43.013068Z","structure_string":"H3 C6 S2 N1 O1\n1.0\n4.559346 0.050744 0.192501\n0.445855 4.708872 1.206999\n0.053595 0.067481 7.411773\nH C S N O\n3 6 2 1 1\ndirect\n0.653417 0.788034 0.732527 H\n0.652046 0.856392 0.368292 H\n0.748933 0.483466 0.090223 H\n0.794599 0.655441 0.658660 C\n0.793502 0.692808 0.462832 C\n0.003740 0.503881 0.403907 C\n0.001995 0.435022 0.747235 C\n0.140098 0.472707 0.223638 C\n0.104855 0.331996 0.935843 C\n0.197552 0.277678 0.587716 S\n0.374110 0.066384 0.984891 S\n0.976447 0.459229 0.075666 N\n0.414323 0.441426 0.218583 O\n","nsites":13,"nelements":5,"elements":["H","C","S","N","O"],"chemical_system":"C-H-N-O-S","density":1.772359030613406,"density_atomic":0.08199430573070465,"volume":158.5475952768736,"volume_molar":7.344584122437261,"formula_full":"H3 C6 S2 N1 O1","formula_reduced":"H3C6S2NO","formula_anonymous":"ABC2D3E6","energy_above_hull":5.222965134615384,"spacegroup":1},{"id":"jvasp-112659","created_at":"2022-09-04T14:38:43.041342Z","updated_at":"2022-09-04T14:38:43.041367Z","structure_string":"Na2 La2 Sc2 Nb2 O12\n1.0\n5.675018 -0.005735 0.017210\n-0.070645 5.674581 0.017210\n-0.014149 -0.014311 8.066239\nNa La Sc Nb O\n2 2 2 2 12\ndirect\n0.746940 0.253061 0.000000 Na\n0.253061 0.746939 0.000000 Na\n0.745760 0.254242 0.500000 La\n0.254241 0.745759 0.500000 La\n0.751789 0.751789 0.245465 Sc\n0.248212 0.248212 0.754535 Sc\n0.749118 0.749118 0.764808 Nb\n0.250883 0.250883 0.235192 Nb\n0.314801 0.314801 0.498744 O\n0.685200 0.685199 0.501257 O\n0.995111 0.995111 0.681090 O\n0.004890 0.004890 0.318911 O\n0.188206 0.188206 0.006409 O\n0.004035 0.492999 0.277688 O\n0.995966 0.507001 0.722312 O\n0.507001 0.995966 0.722312 O\n0.493700 0.493700 0.198132 O\n0.493000 0.004035 0.277688 O\n0.811795 0.811795 0.993591 O\n0.506301 0.506301 0.801868 O\n","nsites":20,"nelements":5,"elements":["Na","La","Sc","Nb","O"],"chemical_system":"La-Na-Nb-O-Sc","density":5.059795766637225,"density_atomic":0.0769943137027567,"volume":259.7594424597608,"volume_molar":7.821539631159001,"formula_full":"Na2 La2 Sc2 Nb2 O12","formula_reduced":"NaLaScNbO6","formula_anonymous":"ABCDE6","energy_above_hull":2.518603965,"spacegroup":12},{"id":"jvasp-42466","created_at":"2022-09-04T14:38:31.388535Z","updated_at":"2022-09-04T14:38:31.388557Z","structure_string":"Li4 Fe3 Co3 Sn2 O16\n1.0\n5.753485 0.030634 -0.026297\n2.875918 4.983185 -0.023979\n0.056587 0.028446 9.519408\nLi Fe Co Sn O\n4 3 3 2 16\ndirect\n0.668379 0.668359 0.103627 Li\n0.000196 0.000178 0.005166 Li\n0.000424 0.000402 0.504487 Li\n0.335129 0.335106 0.607866 Li\n0.830707 0.830685 0.785154 Fe\n0.655399 0.175059 0.285250 Fe\n0.175078 0.655380 0.285250 Fe\n0.339088 0.831500 0.784725 Co\n0.168327 0.168307 0.285126 Co\n0.831521 0.339066 0.784725 Co\n0.666602 0.666581 0.507986 Sn\n0.331404 0.331382 0.004907 Sn\n0.154740 0.154717 0.897747 O\n0.687628 0.154148 0.894594 O\n0.331139 0.331119 0.391923 O\n0.032370 0.485750 0.169426 O\n0.485765 0.032351 0.169428 O\n0.843802 0.843785 0.394673 O\n0.515860 0.971134 0.668956 O\n0.516597 0.516575 0.668936 O\n0.313246 0.839536 0.395290 O\n-0.001749 -0.001767 0.193221 O\n0.999263 -0.000760 0.691839 O\n0.668273 0.668252 0.888512 O\n0.486221 0.486199 0.164503 O\n0.839561 0.313222 0.395290 O\n0.971156 0.515837 0.668955 O\n0.154167 0.687612 0.894593 O\n","nsites":28,"nelements":5,"elements":["Li","Fe","Co","Sn","O"],"chemical_system":"Co-Fe-Li-O-Sn","density":5.281955291479516,"density_atomic":0.10290395672791872,"volume":272.0983807652108,"volume_molar":5.8521955340577705,"formula_full":"Li4 Fe3 Co3 Sn2 O16","formula_reduced":"Li4Fe3Co3(SnO8)2","formula_anonymous":"A2B3C3D4E16","energy_above_hull":2.797970664285714,"spacegroup":8},{"id":"jvasp-113077","created_at":"2022-09-04T14:38:42.151358Z","updated_at":"2022-09-04T14:38:42.151375Z","structure_string":"Na4 Al3 Si3 Cl1 O12\n1.0\n6.300551 -0.019019 4.411558\n0.002271 6.300580 4.411558\n-0.013340 -0.013295 8.834682\nNa Al Si Cl O\n4 3 3 1 12\ndirect\n0.644945 -0.001002 0.347825 Na\n0.348140 -0.003875 0.003985 Na\n0.003875 0.651860 -0.003984 Na\n0.001002 0.355055 0.652175 Na\n0.748674 0.251326 0.500000 Al\n0.249000 0.252149 0.258594 Al\n0.747851 0.751000 0.741406 Al\n0.491086 0.488272 0.758695 Si\n0.253626 0.746374 0.500000 Si\n0.511728 0.508914 0.241305 Si\n0.999646 0.000353 0.000000 Cl\n0.997689 0.290755 0.435137 O\n0.710271 0.448358 0.280211 O\n0.289403 0.423055 0.997061 O\n0.012004 0.698174 0.698380 O\n0.551642 0.289729 0.719789 O\n0.709245 0.002311 0.564863 O\n0.301826 0.987996 0.301621 O\n0.414976 0.696342 0.588044 O\n0.436058 0.303296 0.284260 O\n0.696704 0.563942 0.715740 O\n0.576945 0.710597 0.002939 O\n0.303658 0.585024 0.411957 O\n","nsites":23,"nelements":5,"elements":["Na","Al","Si","Cl","O"],"chemical_system":"Al-Cl-Na-O-Si","density":2.289656876110772,"density_atomic":0.06544257246998021,"volume":351.4531769140119,"volume_molar":9.202176095327662,"formula_full":"Na4 Al3 Si3 Cl1 O12","formula_reduced":"Na4Al3Si3ClO12","formula_anonymous":"AB3C3D4E12","energy_above_hull":2.126910707282609,"spacegroup":5}]}