{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-nsites&page=108","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-nsites&page=106","results":[{"id":"jvasp-112139","created_at":"2022-09-04T14:38:45.406115Z","updated_at":"2022-09-04T14:38:45.406141Z","structure_string":"Zn1 H18 C11 O4\n1.0\n4.185558 -0.325759 -0.252381\n-1.513608 4.391157 -0.020677\n-0.017056 0.123099 15.158224\nZn H C O\n1 18 11 4\ndirect\n0.018338 0.843200 0.844584 Zn\n0.251301 0.751483 0.535034 H\n0.715125 0.289858 0.566083 H\n0.053369 0.842178 0.075180 H\n0.049064 0.035078 0.265584 H\n0.369585 -0.078737 0.227396 H\n0.376123 0.154596 0.415567 H\n0.687366 0.030898 0.376420 H\n0.559144 0.625586 0.494622 H\n0.725447 0.935619 0.117679 H\n0.288564 0.374784 0.069046 H\n0.633335 0.338008 0.014023 H\n0.592680 0.494257 0.223915 H\n-0.082116 0.393979 0.181793 H\n0.908495 0.617647 0.379887 H\n0.222711 0.496013 0.340831 H\n0.655198 0.934498 0.690533 H\n0.919511 0.768026 0.641834 H\n0.022871 0.172474 0.520198 H\n0.455357 0.670024 0.958855 C\n0.533811 0.507259 0.038758 C\n0.802222 0.739097 0.105168 C\n0.844168 0.592937 0.193371 C\n0.116923 0.830709 0.257371 C\n0.785115 0.087973 0.556489 C\n0.439979 0.947432 0.408858 C\n0.494405 0.832151 0.501013 C\n0.866924 0.981172 0.646431 C\n0.295358 0.200734 0.768231 C\n0.158182 0.702371 0.348528 C\n0.695798 0.904280 0.926256 O\n0.576786 0.409026 0.794810 O\n0.180991 0.236522 0.684103 O\n0.140635 0.570931 0.927929 O\n","nsites":34,"nelements":4,"elements":["Zn","H","C","O"],"chemical_system":"C-H-O-Zn","density":1.7126088617537818,"density_atomic":0.12538524737348175,"volume":271.1642773948126,"volume_molar":4.8029101398683745,"formula_full":"Zn1 H18 C11 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0.588843 0.947400 C\n0.680177 0.440009 0.866365 C\n0.745989 0.682704 0.792558 C\n0.991556 0.543783 0.715423 C\n0.343349 0.349017 0.420623 C\n0.075397 0.261423 0.575624 C\n0.155660 0.500059 0.502286 C\n0.410964 0.596051 0.348803 C\n0.605106 0.481121 0.264563 C\n0.830630 0.401799 0.652638 C\n0.236181 0.416809 0.088013 O\n0.575002 0.683436 0.196911 O\n0.800367 0.203442 0.264465 O\n0.736866 0.107466 0.030218 O\n","nsites":34,"nelements":4,"elements":["Cd","H","C","O"],"chemical_system":"C-Cd-H-O","density":2.0429912142632394,"density_atomic":0.12805251217473165,"volume":265.51607166914414,"volume_molar":4.7028681106877475,"formula_full":"Cd1 H18 C11 O4","formula_reduced":"CdH18C11O4","formula_anonymous":"AB4C11D18","energy_above_hull":4.563966580882353,"spacegroup":1},{"id":"jvasp-97439","created_at":"2022-09-04T14:38:17.650273Z","updated_at":"2022-09-04T14:38:17.650283Z","structure_string":"Na6 Fe10 O18\n1.0\n5.250132 0.003284 -0.041156\n-0.063562 9.008226 0.926916\n0.005780 0.027811 9.055968\nNa Fe O\n6 10 18\ndirect\n0.725883 0.681529 0.840310 Na\n0.774117 0.159690 0.318471 Na\n0.274117 0.318471 0.159690 Na\n0.225883 0.840310 0.681529 Na\n0.750000 0.407375 0.592624 Na\n0.250000 0.592625 0.407376 Na\n0.250000 0.067066 0.932935 Fe\n0.750000 0.932934 0.067066 Fe\n0.280863 0.979590 0.299280 Fe\n0.219137 0.700721 0.020410 Fe\n0.719137 0.020410 0.700720 Fe\n0.224303 0.202050 0.564780 Fe\n0.275697 0.435221 0.797950 Fe\n0.775697 0.797950 0.435221 Fe\n0.724303 0.564779 0.202050 Fe\n0.780863 0.299279 0.979590 Fe\n0.667344 0.834033 0.624529 O\n0.078682 0.026656 0.134795 O\n0.421318 0.865205 0.973345 O\n0.921318 0.973344 0.865205 O\n0.578682 0.134795 0.026656 O\n0.332656 0.165967 0.375471 O\n0.167344 0.624529 0.834033 O\n0.832656 0.375471 0.165967 O\n0.875964 0.729827 0.085004 O\n0.368692 0.566360 0.165194 O\n0.868692 0.165193 0.566360 O\n0.631308 0.433640 0.834806 O\n0.375964 0.085004 0.729827 O\n0.124036 0.270173 0.914996 O\n0.624036 0.914996 0.270173 O\n0.750000 0.594430 0.405570 O\n0.131308 0.834807 0.433641 O\n0.250000 0.405570 0.594430 O\n","nsites":34,"nelements":3,"elements":["Na","Fe","O"],"chemical_system":"Fe-Na-O","density":3.817680808510634,"density_atomic":0.0794086141326346,"volume":428.1651351226265,"volume_molar":7.583737388920226,"formula_full":"Na6 Fe10 O18","formula_reduced":"Na3Fe5O9","formula_anonymous":"A3B5C9","energy_above_hull":2.618509764705882,"spacegroup":15},{"id":"jvasp-20997","created_at":"2022-09-04T14:37:36.723066Z","updated_at":"2022-09-04T14:37:36.723086Z","structure_string":"Al4 S6 O24\n1.0\n7.112119 0.000807 4.730684\n2.535384 6.644852 4.730684\n0.001172 0.000807 8.541756\nAl S O\n4 6 24\ndirect\n0.142958 0.142959 0.142958 Al\n0.857041 0.857042 0.857041 Al\n0.352181 0.352182 0.352182 Al\n0.647818 0.647819 0.647818 Al\n0.751519 0.036406 0.460439 S\n0.539560 0.248480 0.963595 S\n0.248479 0.963595 0.539561 S\n0.460439 0.751519 0.036405 S\n0.963594 0.539561 0.248479 S\n0.036405 0.460439 0.751519 S\n0.156668 0.520176 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O\n0.093042 0.328436 0.384377 O\n0.671563 0.906958 0.615622 O\n0.660093 0.480513 0.246145 O\n0.374120 0.935913 0.834441 O\n0.345384 0.654615 0.500000 O\n0.064087 0.625879 0.165559 O\n0.944830 0.516255 0.921383 O\n0.350805 0.649194 -0.000000 O\n0.335694 0.021651 0.592361 O\n0.099552 0.094500 0.761720 O\n0.905500 0.900447 0.238279 O\n0.540005 0.025625 0.387171 O\n0.978348 0.664306 0.407639 O\n0.519486 0.339907 0.753854 O\n","nsites":34,"nelements":4,"elements":["K","Ba","Ge","O"],"chemical_system":"Ba-Ge-K-O","density":3.6302551046522535,"density_atomic":0.05668589024288368,"volume":599.796525278499,"volume_molar":10.623703242900056,"formula_full":"K8 Ba2 Ge6 O18","formula_reduced":"K4Ba(GeO3)3","formula_anonymous":"AB3C4D9","energy_above_hull":1.3627863129411764,"spacegroup":5},{"id":"jvasp-25148","created_at":"2022-09-04T14:37:44.905592Z","updated_at":"2022-09-04T14:37:44.905619Z","structure_string":"Si34\n1.0\n9.092536 0.000000 5.249579\n3.030846 8.572525 5.249579\n0.000000 0.000000 10.499156\nSi\n34\ndirect\n0.875001 0.875000 0.875000 Si\n0.739186 0.504410 0.128203 Si\n0.871797 0.260814 0.871797 Si\n0.260815 0.871797 0.871797 Si\n0.871798 0.871797 0.260814 Si\n0.871798 0.871797 0.495591 Si\n0.871797 0.495591 0.260814 Si\n0.495591 0.871797 0.260814 Si\n0.128203 0.504410 0.128203 Si\n0.128203 0.739186 0.504409 Si\n0.739186 0.128203 0.504409 Si\n0.504410 0.128203 0.128203 Si\n0.128203 0.504410 0.739186 Si\n0.504410 0.128203 0.739186 Si\n0.128203 0.739186 0.128203 Si\n0.739186 0.128203 0.128203 Si\n0.495591 0.260814 0.871797 Si\n0.260815 0.495591 0.871797 Si\n0.125000 0.125000 0.125000 Si\n0.762719 0.762718 0.762718 Si\n0.237282 0.237282 0.788154 Si\n0.788154 0.237282 0.237282 Si\n0.237282 0.788154 0.237282 Si\n0.211846 0.762718 0.762718 Si\n0.504410 0.739186 0.128203 Si\n0.762718 0.211846 0.762718 Si\n0.237282 0.237282 0.237282 Si\n0.128203 0.128203 0.739186 Si\n0.871797 0.260814 0.495591 Si\n0.495591 0.871797 0.871797 Si\n0.871797 0.495591 0.871797 Si\n0.260815 0.871797 0.495591 Si\n0.762719 0.762718 0.211846 Si\n0.128203 0.128203 0.504409 Si\n","nsites":34,"nelements":1,"elements":["Si"],"chemical_system":"Si","density":1.9375904989619686,"density_atomic":0.04154614560545468,"volume":818.3671314033057,"volume_molar":14.495064878435658,"formula_full":"Si34","formula_reduced":"Si","formula_anonymous":"A","energy_above_hull":0.3911500000000001,"spacegroup":227},{"id":"jvasp-30296","created_at":"2022-09-04T14:37:51.604048Z","updated_at":"2022-09-04T14:37:51.604078Z","structure_string":"Zn2 H12 Se4 O16\n1.0\n-7.132204 -0.156367 0.000000\n-2.939864 7.233296 0.000000\n0.000000 0.000000 -6.853746\nZn H Se O\n2 12 4 16\ndirect\n0.499999 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 Zn\n0.879165 0.917749 0.344035 H\n0.762023 0.740301 0.522716 H\n0.737976 0.759699 0.022716 H\n0.736650 0.369851 0.787228 H\n0.620833 0.582251 0.844035 H\n0.763349 0.130149 0.287228 H\n0.236650 0.869851 0.712773 H\n0.379166 0.417749 0.155965 H\n0.263349 0.630149 0.212772 H\n0.262023 0.240301 0.977284 H\n0.237976 0.259699 0.477284 H\n0.120834 0.082251 0.655965 H\n0.051690 0.609896 0.733427 Se\n0.551690 0.109896 0.766574 Se\n0.948309 0.390104 0.266574 Se\n0.448309 0.890104 0.233427 Se\n0.192563 -0.000298 0.763414 O\n0.104226 0.243653 0.458742 O\n0.395774 0.256347 0.958742 O\n0.307437 0.500298 0.263414 O\n0.261555 0.655122 0.678004 O\n0.462103 0.245694 0.567502 O\n0.238443 0.844879 0.178004 O\n0.537896 0.754306 0.432499 O\n0.738444 0.344878 0.321997 O\n0.692562 0.499702 0.736586 O\n0.604225 0.743653 0.041259 O\n0.895773 0.756347 0.541259 O\n0.807437 0.000297 0.236586 O\n0.962102 0.745694 0.932499 O\n0.761555 0.155122 0.821997 O\n0.037897 0.254306 0.067502 O\n","nsites":34,"nelements":4,"elements":["Zn","H","Se","O"],"chemical_system":"H-O-Se-Zn","density":3.327045107672464,"density_atomic":0.09530993749349352,"volume":356.730902297791,"volume_molar":6.318481491409132,"formula_full":"Zn2 H12 Se4 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0.498784 0.250000 O\n0.247119 0.722140 0.938934 O\n0.938933 0.247121 0.722140 O\n0.722139 0.938934 0.247121 O\n0.777859 0.252881 0.561066 O\n0.561066 0.777860 0.252881 O\n0.252879 0.561067 0.777860 O\n0.752880 0.277860 0.061067 O\n0.061066 0.752880 0.277861 O\n0.277860 0.061067 0.752880 O\n0.222139 0.747120 0.438934 O\n0.438933 0.222141 0.747120 O\n0.998783 0.501217 0.750000 O\n0.749999 0.998784 0.501216 O\n","nsites":34,"nelements":3,"elements":["Na","Ta","O"],"chemical_system":"Na-O-Ta","density":7.523336457208086,"density_atomic":0.08143804120651481,"volume":417.4953068159024,"volume_molar":7.394751483190446,"formula_full":"Na4 Ta8 O22","formula_reduced":"Na2Ta4O11","formula_anonymous":"A2B4C11","energy_above_hull":3.655819605882353,"spacegroup":167},{"id":"jvasp-95378","created_at":"2022-09-04T14:36:18.056244Z","updated_at":"2022-09-04T14:36:18.056269Z","structure_string":"Zr4 V12 Sb18\n1.0\n7.246285 0.000000 0.000000\n-0.000000 9.800931 0.000000\n-0.000000 0.000000 9.800931\nZr V 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-0.028102 0.793621 H\n0.692135 -0.028102 0.293621 H\n0.680836 0.337072 0.557473 H\n0.179731 0.560055 0.885583 H\n0.792912 0.056485 0.705689 C\n0.011144 0.842967 0.284657 C\n0.011146 0.842967 0.784657 C\n0.384830 0.116415 0.417861 C\n0.384829 0.116416 0.917860 C\n0.573272 0.165997 0.519507 C\n0.573271 0.165998 0.019507 C\n0.792916 0.056484 0.205689 C\n0.292554 0.730480 0.922627 C\n0.237791 0.897047 0.869740 C\n0.619581 -0.001353 0.576654 C\n0.619579 -0.001354 0.076654 C\n0.292555 0.730480 0.422628 C\n0.479483 0.779904 0.524570 C\n0.479482 0.779903 0.024569 C\n0.237789 0.897046 0.369739 C\n0.774016 0.606312 0.802245 S\n0.774017 0.606313 0.302245 S\n-0.001182 0.003691 0.206679 N\n-0.001182 0.003691 0.706678 N\n","nsites":34,"nelements":4,"elements":["H","C","S","N"],"chemical_system":"C-H-N-S","density":1.3754213229034546,"density_atomic":0.0943689806354327,"volume":360.2878803083524,"volume_molar":6.381483321585089,"formula_full":"H14 C16 S2 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C\n0.596885 0.275617 0.122076 C\n0.303329 0.482158 0.951695 C\n0.432569 0.611863 0.934141 C\n0.882487 0.315091 0.545216 C\n0.382488 0.315095 0.045215 C\n0.803330 0.482161 0.451693 C\n0.669903 0.952067 0.271126 C\n0.169902 0.952068 0.771126 C\n0.932569 0.611861 0.434142 C\n0.354535 0.017255 0.305605 S\n0.854535 0.017255 0.805605 S\n0.741312 0.079166 0.198738 N\n0.241316 0.079164 0.698739 N\n","nsites":34,"nelements":4,"elements":["H","C","S","N"],"chemical_system":"C-H-N-S","density":1.4552892930033086,"density_atomic":0.0998487989269174,"volume":340.51486212553954,"volume_molar":6.031260089976447,"formula_full":"H14 C16 S2 N2","formula_reduced":"H7C8SN","formula_anonymous":"ABC7D8","energy_above_hull":5.404356073529412,"spacegroup":1},{"id":"jvasp-97397","created_at":"2022-09-04T14:36:11.021738Z","updated_at":"2022-09-04T14:36:11.021765Z","structure_string":"Na4 Nb8 O22\n1.0\n6.103257 -0.000079 1.520823\n2.857883 5.390118 1.537618\n0.022184 -0.025958 12.917489\nNa Nb O\n4 8 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0.747601 0.091677 O\n0.500357 0.249998 0.750005 O\n","nsites":34,"nelements":3,"elements":["Na","Nb","O"],"chemical_system":"Na-Nb-O","density":4.63962677289952,"density_atomic":0.08001844459315552,"volume":424.90203568526044,"volume_molar":7.525940788550533,"formula_full":"Na4 Nb8 O22","formula_reduced":"Na2Nb4O11","formula_anonymous":"A2B4C11","energy_above_hull":3.3117590647058823,"spacegroup":167}]}