{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=nsites&page=4337","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=nsites&page=4335","results":[{"id":"jvasp-112241","created_at":"2022-09-04T14:38:44.049419Z","updated_at":"2022-09-04T14:38:44.049446Z","structure_string":"H14 C6 O5\n1.0\n6.174766 -0.037485 -1.648376\n1.951018 5.858554 -1.648376\n0.240013 0.171938 5.002592\nH C O\n14 6 5\ndirect\n0.211251 0.014405 0.666616 H\n0.316439 0.591561 0.109893 H\n0.240617 0.312998 0.293481 H\n0.687003 0.759383 0.706517 H\n0.024105 0.813116 0.814072 H\n0.186884 0.975894 0.185926 H\n0.521357 0.278787 0.673803 H\n0.408439 0.683562 0.890105 H\n0.688481 0.090255 0.110717 H\n0.909746 0.311520 0.889281 H\n0.562253 0.958483 0.279793 H\n0.041517 0.437748 0.720205 H\n0.985596 0.788749 0.333382 H\n0.721214 0.478644 0.326196 H\n0.552432 0.298660 0.472977 C\n0.701341 0.447568 0.527021 C\n0.668931 0.066746 0.314126 C\n0.933255 0.331070 0.685873 C\n0.053146 0.098318 0.536400 C\n0.901683 0.946854 0.463598 C\n0.589692 0.661850 0.683148 O\n0.283264 0.716736 -0.000001 O\n0.107964 0.128614 0.284522 O\n0.871387 0.892037 0.715476 O\n0.338150 0.410308 0.316851 O\n","nsites":25,"nelements":3,"elements":["H","C","O"],"chemical_system":"C-H-O","density":1.4926305043036785,"density_atomic":0.13523354610076077,"volume":184.86537342866706,"volume_molar":4.453141201749587,"formula_full":"H14 C6 O5","formula_reduced":"H14C6O5","formula_anonymous":"A5B6C14","energy_above_hull":4.2853823,"spacegroup":5},{"id":"jvasp-119180","created_at":"2022-09-04T14:38:51.584816Z","updated_at":"2022-09-04T14:38:51.584838Z","structure_string":"In5 Ga5 S15\n1.0\n6.665352 0.001668 0.508406\n3.272617 5.742870 0.948584\n-0.074272 -0.065567 15.302621\nIn Ga S\n5 5 15\ndirect\n0.655458 0.668912 0.003536 In\n0.340407 0.322315 0.012530 In\n0.993713 0.016505 0.003824 In\n0.003204 0.416572 0.740469 In\n0.665893 0.082666 0.740056 In\n0.332463 0.925645 0.317080 Ga\n0.014582 0.574523 0.253892 Ga\n-0.024858 0.841414 0.447804 Ga\n0.687740 0.484311 0.447788 Ga\n0.331228 0.749035 0.753945 Ga\n0.671172 0.571627 0.289641 S\n0.324214 0.700790 0.901688 S\n0.666885 0.030853 0.903383 S\n0.003224 0.373379 0.903353 S\n0.030242 0.769736 0.678035 S\n0.333682 0.074381 0.676589 S\n0.331370 0.827859 0.471579 S\n0.329157 0.968240 0.092636 S\n0.666126 0.311390 0.092533 S\n0.993024 0.647448 0.091571 S\n0.356527 0.249927 0.278092 S\n0.671549 0.158854 0.499758 S\n0.993685 0.497085 0.497649 S\n0.638665 0.465062 0.680628 S\n-0.009179 0.915336 0.289838 S\n","nsites":25,"nelements":3,"elements":["In","Ga","S"],"chemical_system":"Ga-In-S","density":3.976254699223959,"density_atomic":0.04264783551915896,"volume":586.1962206445176,"volume_molar":14.12062461480521,"formula_full":"In5 Ga5 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O\n-0.000000 0.500000 0.500000 O\n0.500000 0.500000 -0.000000 O\n0.901997 0.098003 -0.000000 O\n0.720135 0.819874 0.500000 O\n0.597960 0.897867 0.500000 O\n","nsites":25,"nelements":5,"elements":["Ba","Sc","Ti","Bi","O"],"chemical_system":"Ba-Bi-O-Sc-Ti","density":6.274363440575262,"density_atomic":0.07650643572502186,"volume":326.7698954092513,"volume_molar":7.8714172251399575,"formula_full":"Ba4 Sc1 Ti4 Bi1 O15","formula_reduced":"Ba4ScTi4BiO15","formula_anonymous":"ABC4D4E15","energy_above_hull":2.6330199705333333,"spacegroup":65},{"id":"jvasp-116997","created_at":"2022-09-04T14:38:45.824200Z","updated_at":"2022-09-04T14:38:45.824225Z","structure_string":"Zr3 Ti2 Pb5 O15\n1.0\n14.622119 -0.021248 0.167888\n13.507183 5.600253 0.167888\n-0.047649 -0.009450 4.277183\nZr Ti Pb O\n3 2 5 15\ndirect\n0.110952 0.110952 0.529232 Zr\n0.903573 0.903571 0.529205 Zr\n0.507264 0.507263 0.526715 Zr\n0.709605 0.709604 0.518076 Ti\n0.304888 0.304888 0.518075 Ti\n0.007127 0.007127 0.963683 Pb\n0.610856 0.610855 0.968174 Pb\n0.210485 0.210485 0.974519 Pb\n0.803881 0.803880 0.974586 Pb\n0.403404 0.403403 0.968261 Pb\n0.507353 0.007263 0.605702 O\n0.898515 0.424602 0.601451 O\n0.306536 0.811211 0.600166 O\n0.203176 0.708321 0.600156 O\n0.589852 0.116260 0.601472 O\n0.007263 0.507353 0.605702 O\n0.304048 0.304048 0.102167 O\n0.811212 0.306536 0.600166 O\n0.507349 0.507348 0.061519 O\n0.902755 0.902753 0.062858 O\n0.116260 0.589852 0.601472 O\n0.710598 0.710597 0.102160 O\n0.111927 0.111927 0.062876 O\n0.424603 0.898514 0.601451 O\n0.708321 0.203176 0.600156 O\n","nsites":25,"nelements":4,"elements":["Zr","Ti","Pb","O"],"chemical_system":"O-Pb-Ti-Zr","density":7.772608563031685,"density_atomic":0.07111922359031574,"volume":351.5223977136364,"volume_molar":8.467669437296884,"formula_full":"Zr3 Ti2 Pb5 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0.758801 0.537528 C\n0.764827 0.134240 0.344034 O\n0.804982 0.404355 0.057337 O\n0.092905 0.116696 0.484477 O\n0.119007 0.622616 0.980175 O\n","nsites":25,"nelements":4,"elements":["Sn","H","C","O"],"chemical_system":"C-H-O-Sn","density":2.027062422950095,"density_atomic":0.09753506974031695,"volume":256.318061457909,"volume_molar":6.174333781719436,"formula_full":"Sn1 H10 C10 O4","formula_reduced":"SnH10(C5O2)2","formula_anonymous":"AB4C10D10","energy_above_hull":4.898425028,"spacegroup":1},{"id":"jvasp-112071","created_at":"2022-09-04T14:38:43.697758Z","updated_at":"2022-09-04T14:38:43.697787Z","structure_string":"H11 C13 N1\n1.0\n3.666180 0.090213 -1.242235\n-2.879892 5.437503 -2.312039\n0.108989 -0.542644 10.833502\nH C N\n11 13 1\ndirect\n0.511297 0.852667 0.325934 H\n0.537571 0.897970 0.562852 H\n0.801449 0.027523 0.020428 H\n0.573574 0.159948 0.201964 H\n0.618008 0.213001 0.444620 H\n0.349206 0.189163 0.584917 H\n0.628190 0.358446 0.060051 H\n0.323935 0.728295 0.087551 H\n0.861991 0.846747 0.184113 H\n0.803532 0.986224 0.787372 H\n0.357950 0.232512 0.819862 H\n0.577653 0.634065 0.938762 C\n0.551906 0.736254 0.486099 C\n0.702544 0.818227 0.791873 C\n0.532065 0.709718 0.349876 C\n0.574692 0.557653 0.523547 C\n0.581415 0.583613 0.665943 C\n0.557350 0.319734 0.280035 C\n0.459023 0.400343 0.814942 C\n0.580363 0.349902 0.416801 C\n0.459117 0.376020 0.681037 C\n0.699886 0.842131 0.924408 C\n0.572409 0.678831 0.085566 C\n0.531570 0.499481 0.243085 C\n0.501820 0.465699 0.104085 N\n","nsites":25,"nelements":3,"elements":["H","C","N"],"chemical_system":"C-H-N","density":1.4132078755895123,"density_atomic":0.1173976342417517,"volume":212.95148033833985,"volume_molar":5.12969515859142,"formula_full":"H11 C13 N1","formula_reduced":"H11C13N","formula_anonymous":"AB11C13","energy_above_hull":5.71794853,"spacegroup":1},{"id":"jvasp-112114","created_at":"2022-09-04T14:38:44.900566Z","updated_at":"2022-09-04T14:38:44.900595Z","structure_string":"Cd1 H12 C8 O4\n1.0\n3.923157 -0.079124 -0.566920\n-1.117224 4.318933 -0.110185\n-0.102407 0.031104 11.937805\nCd H C O\n1 12 8 4\ndirect\n0.195883 0.654999 0.180508 Cd\n0.685705 0.803006 0.583438 H\n0.773121 0.026510 0.900337 H\n0.955094 0.420264 0.953679 H\n0.063915 0.944573 0.774283 H\n0.439330 0.943197 0.713101 H\n0.952514 0.366657 0.647929 H\n0.043221 0.806223 0.512746 H\n0.348644 0.503688 0.848258 H\n0.706150 0.506854 0.777569 H\n0.436754 0.889694 0.407342 H\n0.618742 0.283423 0.460708 H\n0.327944 0.365305 0.586753 H\n0.511604 0.173827 0.024979 C\n0.708088 0.239823 0.924953 C\n0.505686 0.354682 0.820742 C\n0.276327 0.094171 0.734880 C\n0.886171 0.955208 0.540274 C\n0.683768 0.070121 0.436074 C\n0.880216 0.136167 0.336040 C\n0.115520 0.215691 0.626147 C\n0.280611 0.913828 0.023328 O\n0.111199 0.396174 0.337694 O\n0.805436 0.925326 0.254109 O\n0.586342 0.384709 0.106892 O\n","nsites":25,"nelements":4,"elements":["Cd","H","C","O"],"chemical_system":"C-Cd-H-O","density":2.3511203473869267,"density_atomic":0.12437896229120225,"volume":200.99862178837566,"volume_molar":4.841767971902405,"formula_full":"Cd1 H12 C8 O4","formula_reduced":"CdH12(C2O)4","formula_anonymous":"AB4C8D12","energy_above_hull":4.42235015,"spacegroup":2},{"id":"jvasp-120499","created_at":"2022-09-04T14:38:53.089472Z","updated_at":"2022-09-04T14:38:53.089504Z","structure_string":"Sr4 Pr1 Mn5 O15\n1.0\n8.287450 -0.001035 2.220759\n6.513356 5.124257 2.220759\n-0.003705 -0.001283 6.641929\nSr Pr Mn O\n4 1 5 15\ndirect\n0.100108 0.100108 0.098792 Sr\n0.700197 0.700199 0.700386 Sr\n0.299802 0.299803 0.299615 Sr\n0.899891 0.899894 0.901208 Sr\n0.499999 0.500001 0.500000 Pr\n0.500000 0.500001 -0.000000 Mn\n0.299338 0.299339 0.801804 Mn\n0.899064 0.899066 0.400596 Mn\n0.100935 0.100936 0.599404 Mn\n0.700661 0.700663 0.198196 Mn\n0.599835 0.109622 0.599103 O\n0.000000 0.500000 -0.000000 O\n0.205536 0.697240 0.205850 O\n0.598272 0.598274 0.104980 O\n-0.000000 0.000000 0.500000 O\n0.798712 0.798714 0.305928 O\n0.697239 0.205537 0.205850 O\n0.401726 0.401728 0.895020 O\n0.500000 0.000000 0.000000 O\n0.890378 0.400165 0.400898 O\n0.794462 0.302762 0.794150 O\n0.109620 0.599837 0.599103 O\n0.302759 0.794465 0.794150 O\n0.201287 0.201288 0.694072 O\n0.400163 0.890380 0.400898 O\n","nsites":25,"nelements":4,"elements":["Sr","Pr","Mn","O"],"chemical_system":"Mn-O-Pr-Sr","density":5.920919093272543,"density_atomic":0.08860379519389512,"volume":282.1549567407528,"volume_molar":6.796707462498098,"formula_full":"Sr4 Pr1 Mn5 O15","formula_reduced":"Sr4PrMn5O15","formula_anonymous":"AB4C5D15","energy_above_hull":2.7983889518758622,"spacegroup":12},{"id":"jvasp-116541","created_at":"2022-09-04T14:38:43.223994Z","updated_at":"2022-09-04T14:38:43.224021Z","structure_string":"Ho1 H9 C5 N2 O8\n1.0\n6.399039 0.092026 1.782611\n2.449456 5.912389 1.782611\n0.125725 0.085315 6.516054\nHo H C N O\n1 9 5 2 8\ndirect\n0.095247 0.904753 -0.000000 Ho\n0.890629 0.553032 0.399258 H\n0.446968 0.109371 0.600741 H\n0.596414 0.655019 0.526198 H\n0.344981 0.403586 0.473801 H\n0.644847 0.378448 0.822436 H\n0.621552 0.355153 0.177563 H\n0.656207 0.712279 0.109362 H\n0.287721 0.343792 0.890637 H\n0.008282 0.991719 0.500000 H\n0.164177 0.835824 0.500000 C\n0.159867 0.364592 0.043877 C\n0.635408 0.840133 0.956122 C\n0.620241 0.200143 0.297676 C\n0.799857 0.379759 0.702323 C\n0.761540 0.543251 0.529216 N\n0.456749 0.238460 0.470783 N\n0.994496 0.234431 0.733752 O\n0.765569 0.005504 0.266248 O\n0.244476 0.745062 0.331014 O\n0.254939 0.755524 0.668985 O\n0.459925 0.891043 0.877814 O\n0.108957 0.540075 0.122185 O\n0.075463 0.216916 0.130160 O\n0.783084 0.924537 0.869839 O\n","nsites":25,"nelements":5,"elements":["Ho","H","C","N","O"],"chemical_system":"C-H-Ho-N-O","density":2.6638339964105495,"density_atomic":0.10281638544179887,"volume":243.1519051421207,"volume_molar":5.857179995312076,"formula_full":"Ho1 H9 C5 N2 O8","formula_reduced":"HoH9C5(NO4)2","formula_anonymous":"AB2C5D8E9","energy_above_hull":4.267130402666667,"spacegroup":5},{"id":"jvasp-116652","created_at":"2022-09-04T14:38:44.148155Z","updated_at":"2022-09-04T14:38:44.148173Z","structure_string":"Sr4 La1 Co5 O15\n1.0\n8.240487 -0.024110 2.220596\n6.482669 5.087358 2.220596\n-0.023847 -0.008201 6.615212\nSr La Co O\n4 1 5 15\ndirect\n0.099677 0.099677 0.099566 Sr\n0.700280 0.700280 0.700593 Sr\n0.299720 0.299720 0.299408 Sr\n0.900322 0.900323 0.900435 Sr\n0.500000 0.500000 0.500000 La\n0.898476 0.898476 0.399729 Co\n0.500000 0.500000 0.000000 Co\n0.101524 0.101524 0.600272 Co\n0.701320 0.701320 0.197529 Co\n0.298680 0.298680 0.802472 Co\n0.795659 0.302573 0.795153 O\n0.204341 0.697427 0.204848 O\n0.599766 0.107805 0.599374 O\n0.201098 0.201098 0.695142 O\n0.598388 0.598388 0.105014 O\n-0.000000 0.000000 0.500000 O\n0.892195 0.400234 0.400626 O\n0.798902 0.798902 0.304859 O\n0.107804 0.599766 0.599374 O\n0.500000 -0.000000 0.000000 O\n0.400234 0.892196 0.400626 O\n0.302573 0.795660 0.795153 O\n0.697427 0.204341 0.204848 O\n0.401611 0.401612 0.894987 O\n-0.000000 0.500000 0.000000 O\n","nsites":25,"nelements":4,"elements":["Sr","La","Co","O"],"chemical_system":"Co-La-O-Sr","density":6.102249549691791,"density_atomic":0.08971455707968755,"volume":278.6615774939862,"volume_molar":6.712556976289733,"formula_full":"Sr4 La1 Co5 O15","formula_reduced":"Sr4La(CoO3)5","formula_anonymous":"AB4C5D15","energy_above_hull":2.5851622896000004,"spacegroup":12},{"id":"jvasp-116661","created_at":"2022-09-04T14:38:44.730565Z","updated_at":"2022-09-04T14:38:44.730592Z","structure_string":"Pr6 Cu8 P8 O3\n1.0\n13.586911 -0.005979 0.000000\n-12.410471 5.530317 0.000000\n0.000000 0.000000 5.649060\nPr Cu P O\n6 8 8 3\ndirect\n0.685769 0.786274 0.736016 Pr\n0.213727 0.314231 0.263984 Pr\n0.786273 0.685769 0.263984 Pr\n0.314231 0.213727 0.736016 Pr\n0.500000 -0.000000 0.249992 Pr\n0.000000 0.500000 0.750007 Pr\n0.844216 0.155784 -0.000000 Cu\n0.346586 0.653415 -0.000000 Cu\n0.846654 0.153346 0.500000 Cu\n0.347466 0.652535 0.500000 Cu\n0.153346 0.846655 0.500000 Cu\n0.155784 0.844216 -0.000000 Cu\n0.652534 0.347466 0.500000 Cu\n0.653415 0.346585 -0.000000 Cu\n0.861544 0.651380 0.756709 P\n0.348620 0.138456 0.243291 P\n0.651380 0.861544 0.243291 P\n0.138456 0.348620 0.756709 P\n0.542981 0.954712 0.748142 P\n0.045289 0.457019 0.251858 P\n0.954711 0.542981 0.251858 P\n0.457019 0.045289 0.748142 P\n0.500000 0.500000 -0.000000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n","nsites":25,"nelements":4,"elements":["Pr","Cu","P","O"],"chemical_system":"Cu-O-P-Pr","density":6.459671992103408,"density_atomic":0.05895520463607534,"volume":424.05077133261653,"volume_molar":10.21477373740636,"formula_full":"Pr6 Cu8 P8 O3","formula_reduced":"Pr6Cu8P8O3","formula_anonymous":"A3B6C8D8","energy_above_hull":1.8810810879999995,"spacegroup":21},{"id":"jvasp-112115","created_at":"2022-09-04T14:38:44.235275Z","updated_at":"2022-09-04T14:38:44.235300Z","structure_string":"Cd1 H12 C8 O4\n1.0\n3.702612 -0.144358 0.575068\n-1.034794 4.402592 -0.628361\n-0.144726 1.296573 12.330036\nCd H C O\n1 12 8 4\ndirect\n0.629415 0.562930 0.179050 Cd\n0.747809 0.852521 0.541566 H\n0.947536 0.714182 0.935931 H\n0.413177 0.737775 0.889125 H\n0.852284 0.783108 0.738319 H\n0.328515 0.819409 0.694719 H\n0.930697 0.306710 0.663349 H\n0.223863 0.884813 0.497505 H\n0.035071 0.241151 0.860565 H\n0.511176 0.273496 0.816556 H\n0.845639 0.388111 0.468923 H\n0.311303 0.411772 0.422120 H\n0.406888 0.342909 0.619714 H\n0.348616 0.013207 0.025051 C\n0.225231 0.879313 0.918219 C\n0.231461 0.108604 0.830725 C\n0.130402 0.951826 0.723657 C\n0.027525 0.017396 0.527358 C\n0.033645 0.246607 0.439848 C\n0.910272 0.112586 0.333031 C\n0.128745 0.174240 0.634405 C\n0.254841 0.836937 0.109492 O\n0.709918 0.837931 0.332173 O\n0.003938 0.288773 0.248572 O\n0.549092 0.287812 0.025939 O\n","nsites":25,"nelements":4,"elements":["Cd","H","C","O"],"chemical_system":"C-Cd-H-O","density":2.3423703346268425,"density_atomic":0.1239160691397123,"volume":201.7494597235256,"volume_molar":4.859854578836088,"formula_full":"Cd1 H12 C8 O4","formula_reduced":"CdH12(C2O)4","formula_anonymous":"AB4C8D12","energy_above_hull":4.42185015,"spacegroup":2}]}