{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-nelements&page=69","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-nelements&page=67","results":[{"id":"jvasp-3366","created_at":"2022-09-04T14:35:41.491929Z","updated_at":"2022-09-04T14:35:41.491961Z","structure_string":"Ba2 Mn1 Zn2 As2 O2\n1.0\n4.128116 -0.000000 -0.877240\n-0.186417 4.123905 -0.877240\n0.045336 0.047432 10.365007\nBa Mn Zn As O\n2 1 2 2 2\ndirect\n0.591487 0.591486 0.182972 Ba\n0.408514 0.408513 0.817028 Ba\n0.000000 0.000000 0.000000 Mn\n0.750001 0.250000 0.500000 Zn\n0.250000 0.749999 0.500000 Zn\n0.173651 0.173650 0.347303 As\n0.826351 0.826349 0.652698 As\n-0.000000 0.499999 -0.000000 O\n0.500001 -0.000000 0.000000 O\n","nsites":9,"nelements":5,"elements":["Ba","Mn","Zn","As","O"],"chemical_system":"As-Ba-Mn-O-Zn","density":6.032255801654886,"density_atomic":0.05090584677764881,"volume":176.7969804983506,"volume_molar":11.82995891671158,"formula_full":"Ba2 Mn1 Zn2 As2 O2","formula_reduced":"Ba2MnZn2(AsO)2","formula_anonymous":"AB2C2D2E2","energy_above_hull":1.1678389423754787,"spacegroup":139},{"id":"jvasp-109785","created_at":"2022-09-04T14:38:19.969854Z","updated_at":"2022-09-04T14:38:19.969874Z","structure_string":"Ba1 Nd1 Fe1 Co1 O6\n1.0\n3.882192 -0.000000 0.000000\n0.000000 3.882192 0.000000\n-0.000000 -0.000000 7.702214\nBa Nd Fe Co O\n1 1 1 1 6\ndirect\n0.000000 0.000000 0.997026 Ba\n0.000000 0.000000 0.504789 Nd\n0.500000 0.500000 0.253584 Fe\n0.500000 0.500000 0.749422 Co\n0.500000 0.500000 0.006264 O\n-0.000000 0.500000 0.724625 O\n0.500000 0.000000 0.724625 O\n-0.000000 0.500000 0.270974 O\n0.500000 0.000000 0.270974 O\n0.500000 0.500000 0.497713 O\n","nsites":10,"nelements":5,"elements":["Ba","Nd","Fe","Co","O"],"chemical_system":"Ba-Co-Fe-Nd-O","density":7.042839451340577,"density_atomic":0.08614506408011897,"volume":116.08326149365364,"volume_molar":6.9906974059467,"formula_full":"Ba1 Nd1 Fe1 Co1 O6","formula_reduced":"BaNdFeCoO6","formula_anonymous":"ABCDE6","energy_above_hull":2.473999487,"spacegroup":99},{"id":"jvasp-44555","created_at":"2022-09-04T14:38:15.447269Z","updated_at":"2022-09-04T14:38:15.447293Z","structure_string":"K2 Si2 P2 C2 O14\n1.0\n0.000000 4.877628 -0.405292\n5.963782 0.000000 0.000000\n0.000000 0.677289 -9.251108\nK Si P C O\n2 2 2 2 14\ndirect\n0.899059 0.702735 0.158422 K\n0.100941 0.202736 0.841578 K\n0.273745 0.228963 0.343150 Si\n0.726256 0.728963 0.656850 Si\n0.295107 0.729769 0.440719 P\n0.704893 0.229769 0.559281 P\n0.464488 0.230445 0.103134 C\n0.535513 0.730445 0.896866 C\n0.400892 0.730320 0.782401 O\n0.729609 0.430643 0.659635 O\n0.728900 0.028231 0.659279 O\n0.070026 0.730091 0.574356 O\n0.417609 0.229253 0.508436 O\n0.582392 0.729253 0.491564 O\n0.599108 0.230320 0.217599 O\n0.271100 0.528231 0.340721 O\n0.270391 0.930643 0.340365 O\n0.806505 0.730459 0.844346 O\n0.193496 0.230459 0.155654 O\n0.431263 0.731238 0.026701 O\n0.929975 0.230091 0.425644 O\n0.568737 0.231238 -0.026701 O\n","nsites":22,"nelements":5,"elements":["K","Si","P","C","O"],"chemical_system":"C-K-O-P-Si","density":2.758536464020792,"density_atomic":0.0822523868510894,"volume":267.4694418270078,"volume_molar":7.321539216731239,"formula_full":"K2 Si2 P2 C2 O14","formula_reduced":"KSiPCO7","formula_anonymous":"ABCDE7","energy_above_hull":2.889964236363636,"spacegroup":4},{"id":"jvasp-43692","created_at":"2022-09-04T14:38:08.659581Z","updated_at":"2022-09-04T14:38:08.659604Z","structure_string":"Li2 V2 P4 H2 O16\n1.0\n4.839508 -0.032900 -0.002520\n1.947719 7.141464 -0.008856\n0.004873 0.008097 7.879068\nLi V P H O\n2 2 4 2 16\ndirect\n0.401657 0.145079 0.876972 Li\n0.901858 0.645023 0.625930 Li\n0.491782 0.004551 0.495919 V\n0.991685 0.504585 0.007033 V\n0.131054 0.741217 0.342154 P\n0.371093 0.763693 0.844744 P\n0.630918 0.241219 0.160754 P\n0.871094 0.263699 0.658175 P\n0.968763 0.011731 0.012382 H\n0.468932 0.511740 0.490435 H\n0.834551 0.368723 0.176962 O\n0.744195 0.444376 0.564622 O\n0.635305 0.641475 0.943198 O\n0.487943 0.807290 0.670228 O\n0.755187 0.061568 0.054876 O\n0.657729 0.140122 0.680217 O\n0.334738 0.868686 0.325952 O\n0.157834 0.640044 0.822702 O\n0.547334 0.185513 0.336871 O\n0.363242 0.342793 0.056672 O\n0.255388 0.561526 0.447945 O\n0.987799 0.307355 0.832705 O\n0.047329 0.685571 0.166054 O\n0.135355 0.141361 0.559807 O\n0.243998 0.944416 0.938217 O\n0.863424 0.842781 0.446320 O\n","nsites":26,"nelements":5,"elements":["Li","V","P","H","O"],"chemical_system":"H-Li-O-P-V","density":3.029137105764352,"density_atomic":0.09530263839800199,"volume":272.8151123310883,"volume_molar":6.318965415050098,"formula_full":"Li2 V2 P4 H2 O16","formula_reduced":"LiVP2HO8","formula_anonymous":"ABCD2E8","energy_above_hull":2.935279476923077,"spacegroup":7},{"id":"jvasp-95353","created_at":"2022-09-04T14:35:46.295075Z","updated_at":"2022-09-04T14:35:46.295096Z","structure_string":"K2 Ba1 Co1 N6 O12\n1.0\n6.421903 -0.000000 3.707688\n2.140635 6.054629 3.707688\n-0.000000 -0.000000 7.415375\nK Ba Co N O\n2 1 1 6 12\ndirect\n0.749999 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.499999 0.500000 0.500001 Ba\n0.000000 0.000000 0.000000 Co\n0.185259 0.814740 0.185261 N\n0.814739 0.185260 0.814741 N\n0.814739 0.185260 0.185261 N\n0.814739 0.814740 0.185261 N\n0.185259 0.814740 0.814741 N\n0.185260 0.185260 0.814741 N\n0.350902 0.143132 0.649099 O\n0.143131 0.856868 0.649099 O\n0.350901 0.649098 0.856869 O\n0.649097 0.856868 0.350903 O\n0.856867 0.649098 0.143133 O\n0.856867 0.350902 0.649099 O\n0.350901 0.856868 0.143133 O\n0.649097 0.350902 0.143132 O\n0.856868 0.143132 0.350903 O\n0.143132 0.350902 0.856869 O\n0.649098 0.143132 0.856869 O\n0.143131 0.649098 0.350903 O\n","nsites":22,"nelements":5,"elements":["K","Ba","Co","N","O"],"chemical_system":"Ba-Co-K-N-O","density":3.1703993716968006,"density_atomic":0.07630241507822631,"volume":288.3263914706407,"volume_molar":7.892464155723009,"formula_full":"K2 Ba1 Co1 N6 O12","formula_reduced":"K2BaCo(NO2)6","formula_anonymous":"ABC2D6E12","energy_above_hull":3.483002925909091,"spacegroup":202},{"id":"jvasp-32416","created_at":"2022-09-04T14:38:02.971640Z","updated_at":"2022-09-04T14:38:02.971659Z","structure_string":"H20 C6 N2 Cl2 O8\n1.0\n5.418339 -0.096890 0.000000\n-1.682744 7.404524 0.000000\n0.000000 0.000000 8.585027\nH C N Cl O\n20 6 2 2 8\ndirect\n0.947020 0.733653 0.496581 H\n0.141002 0.613903 0.388518 H\n0.052798 0.266291 0.505312 H\n0.293266 0.081602 0.855806 H\n0.770026 0.142641 0.900306 H\n0.052981 0.266347 0.996581 H\n0.769914 0.142622 0.601678 H\n0.230087 0.857377 0.101677 H\n0.706728 0.918396 0.146081 H\n0.293273 0.081604 0.646081 H\n0.858918 0.386078 0.613423 H\n0.141083 0.613921 0.113423 H\n0.238525 0.359438 0.750928 H\n0.858999 0.386096 0.888518 H\n0.706735 0.918398 0.355806 H\n0.761476 0.640562 0.250928 H\n0.984090 0.036367 0.250942 H\n0.015911 0.963632 0.750942 H\n0.229974 0.857358 0.400306 H\n0.947202 0.733709 0.005312 H\n0.070441 0.737387 0.394997 C\n0.821994 0.918277 0.250943 C\n0.929560 0.262612 0.894997 C\n0.929459 0.262589 0.606934 C\n0.178007 0.081722 0.750944 C\n0.070542 0.737411 0.106934 C\n0.079875 0.249911 0.750946 N\n0.920126 0.750089 0.250946 N\n0.476163 0.703747 0.750921 Cl\n0.523838 0.296252 0.250921 Cl\n0.580022 0.805498 0.612541 O\n0.200186 0.669949 0.750929 O\n0.419979 0.194502 0.112541 O\n0.419964 0.194493 0.389291 O\n0.799814 0.330051 0.250929 O\n0.545797 0.527745 0.750923 O\n0.580037 0.805506 0.889291 O\n0.454204 0.472254 0.250923 O\n","nsites":38,"nelements":5,"elements":["H","C","N","Cl","O"],"chemical_system":"C-Cl-H-N-O","density":1.5448651480692648,"density_atomic":0.11077636243552737,"volume":343.03346999786413,"volume_molar":5.436304846627301,"formula_full":"H20 C6 N2 Cl2 O8","formula_reduced":"H10C3NClO4","formula_anonymous":"ABC3D4E10","energy_above_hull":3.8872827009210527,"spacegroup":11},{"id":"jvasp-32539","created_at":"2022-09-04T14:38:02.648847Z","updated_at":"2022-09-04T14:38:02.648874Z","structure_string":"As2 H10 C2 O2 F12\n1.0\n4.729865 0.000000 -0.639310\n0.000000 7.124299 0.000000\n0.073481 0.000000 8.464742\nAs H C O F\n2 10 2 2 12\ndirect\n0.933144 0.750000 0.700243 As\n0.066855 0.250000 0.299756 As\n0.608715 0.376493 0.925901 H\n0.583357 0.366925 0.646802 H\n0.583357 0.133075 0.646802 H\n0.416642 0.866925 0.353198 H\n0.091353 0.750000 0.132693 H\n0.416642 0.633075 0.353198 H\n0.608715 0.123507 0.925901 H\n0.391284 0.876493 0.074099 H\n0.908646 0.250000 0.867307 H\n0.391284 0.623507 0.074099 H\n0.679871 0.250000 0.870010 C\n0.320127 0.750000 0.129989 C\n0.534924 0.250000 0.704346 O\n0.465075 0.750000 0.295654 O\n0.159678 0.929866 0.781806 F\n0.090401 0.750000 0.523334 F\n0.159678 0.570134 0.781806 F\n0.757885 0.750000 0.871937 F\n0.840321 0.070134 0.218194 F\n0.314960 0.422409 0.388585 F\n0.909598 0.250000 0.476666 F\n0.685038 0.577591 0.611415 F\n0.242114 0.250000 0.128062 F\n0.840321 0.429866 0.218194 F\n0.685038 0.922409 0.611415 F\n0.314960 0.077591 0.388585 F\n","nsites":28,"nelements":5,"elements":["As","H","C","O","F"],"chemical_system":"As-C-F-H-O","density":2.581329728969018,"density_atomic":0.09804922059169444,"volume":285.5708574839179,"volume_molar":6.141956788293046,"formula_full":"As2 H10 C2 O2 F12","formula_reduced":"AsH5COF6","formula_anonymous":"ABCD5E6","energy_above_hull":1.9085883532142855,"spacegroup":11},{"id":"jvasp-58253","created_at":"2022-09-04T14:37:44.899274Z","updated_at":"2022-09-04T14:37:44.899303Z","structure_string":"Ba2 Al2 B2 O6 F4\n1.0\n2.459984 -4.260816 0.000000\n2.459984 4.260817 -0.000000\n-0.000000 0.000000 9.419882\nBa Al B O F\n2 2 2 6 4\ndirect\n0.000000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Ba\n0.666666 0.333332 0.250000 Al\n0.333332 0.666666 0.750000 Al\n0.333332 0.666666 0.250000 B\n0.666666 0.333332 0.750000 B\n0.327111 0.383050 0.250000 O\n0.616948 0.944059 0.250000 O\n0.944059 0.327110 0.750000 O\n0.383051 0.055939 0.750000 O\n0.055939 0.672889 0.250000 O\n0.672888 0.616948 0.750000 O\n0.666666 0.333332 0.052240 F\n0.333332 0.666666 0.552240 F\n0.666666 0.333332 0.447760 F\n0.333332 0.666666 0.947760 F\n","nsites":16,"nelements":5,"elements":["Ba","Al","B","O","F"],"chemical_system":"Al-B-Ba-F-O","density":4.391466618408819,"density_atomic":0.08102506929451453,"volume":197.46974781153583,"volume_molar":7.432441357267317,"formula_full":"Ba2 Al2 B2 O6 F4","formula_reduced":"BaAlBO3F2","formula_anonymous":"ABCD2E3","energy_above_hull":1.4456865522916669,"spacegroup":176},{"id":"jvasp-23953","created_at":"2022-09-04T14:37:36.333329Z","updated_at":"2022-09-04T14:37:36.333339Z","structure_string":"Na8 Ga6 Si6 Cl2 O24\n1.0\n9.002544 0.000000 0.000000\n-0.000000 9.002544 -0.000000\n-0.000000 0.000000 9.002544\nNa Ga Si Cl O\n8 6 6 2 24\ndirect\n0.671511 0.328489 0.328489 Na\n0.328489 0.328489 0.671511 Na\n0.328489 0.671511 0.328489 Na\n0.171511 0.171511 0.171511 Na\n0.671511 0.671511 0.671511 Na\n0.828489 0.171511 0.828489 Na\n0.828489 0.828489 0.171511 Na\n0.171511 0.828489 0.828489 Na\n0.250000 0.000000 0.500000 Ga\n0.000000 0.500000 0.750000 Ga\n0.000000 0.500000 0.250000 Ga\n0.500000 0.250000 0.000000 Ga\n0.500000 0.750000 0.000000 Ga\n0.750000 0.000000 0.500000 Ga\n0.000000 0.250000 0.500000 Si\n0.000000 0.750000 0.500000 Si\n0.750000 0.500000 0.000000 Si\n0.500000 0.000000 0.250000 Si\n0.500000 0.000000 0.750000 Si\n0.250000 0.500000 0.000000 Si\n0.000000 0.000000 0.000000 Cl\n0.500000 0.500000 0.500000 Cl\n0.849543 0.576259 0.133021 O\n0.150456 0.423740 0.133021 O\n0.576259 0.866979 0.150456 O\n0.349543 0.633021 0.076259 O\n0.650456 0.366979 0.076259 O\n0.923740 0.349543 0.366979 O\n0.076259 0.349543 0.633021 O\n0.366979 0.076259 0.650456 O\n0.366979 0.923740 0.349543 O\n0.133021 0.150456 0.423740 O\n0.576259 0.133021 0.849543 O\n0.849543 0.423740 0.866979 O\n0.133021 0.849543 0.576259 O\n0.866979 0.150456 0.576259 O\n0.866979 0.849543 0.423740 O\n0.349543 0.366979 0.923740 O\n0.650456 0.633021 0.923740 O\n0.076259 0.650456 0.366979 O\n0.923740 0.650456 0.633021 O\n0.633021 0.076259 0.349543 O\n0.633021 0.923740 0.650456 O\n0.423740 0.866979 0.849543 O\n0.150456 0.576259 0.866979 O\n0.423740 0.133021 0.150456 O\n","nsites":46,"nelements":5,"elements":["Na","Ga","Si","Cl","O"],"chemical_system":"Cl-Ga-Na-O-Si","density":2.789482361656256,"density_atomic":0.06304665849401629,"volume":729.6183667587367,"volume_molar":9.551879360222646,"formula_full":"Na8 Ga6 Si6 Cl2 O24","formula_reduced":"Na4Ga3Si3ClO12","formula_anonymous":"AB3C3D4E12","energy_above_hull":1.792597601847826,"spacegroup":218},{"id":"jvasp-29129","created_at":"2022-09-04T14:37:28.966833Z","updated_at":"2022-09-04T14:37:28.966868Z","structure_string":"Te2 Mo3 W1 Se4 S2\n1.0\n3.346157 0.000000 -0.000000\n-1.673079 2.897176 0.000486\n-0.000000 0.005611 34.170994\nTe Mo W Se S\n2 3 1 4 2\ndirect\n0.667943 0.335884 0.024674 Te\n0.667722 0.335442 0.135864 Te\n0.334380 0.668759 0.080209 Mo\n0.332891 0.665782 0.476230 Mo\n0.667117 0.334234 0.284102 Mo\n0.665568 0.331137 0.662325 W\n0.333530 0.667062 0.332905 Se\n0.666314 0.332627 0.427465 Se\n0.666116 0.332230 0.525019 Se\n0.333953 0.667909 0.235310 Se\n0.332065 0.664130 0.706935 S\n0.332405 0.664811 0.617710 S\n","nsites":12,"nelements":5,"elements":["Te","Mo","W","Se","S"],"chemical_system":"Mo-S-Se-Te-W","density":5.548188736289209,"density_atomic":0.03622450444371035,"volume":331.2674716819641,"volume_molar":16.624494530650846,"formula_full":"Te2 Mo3 W1 Se4 S2","formula_reduced":"Te2Mo3W(Se2S)2","formula_anonymous":"AB2C2D3E4","energy_above_hull":3.7227988916666663,"spacegroup":156},{"id":"jvasp-11592","created_at":"2022-09-04T14:37:15.075692Z","updated_at":"2022-09-04T14:37:15.075731Z","structure_string":"Sr4 Mg1 Co2 S2 O6\n1.0\n3.809871 0.000000 0.000000\n0.000000 3.809914 0.000000\n0.000000 0.000000 16.306835\nSr Mg Co S O\n4 1 2 2 6\ndirect\n0.000000 0.500000 0.192460 Sr\n0.500000 0.000000 0.807540 Sr\n0.000000 0.500000 0.416120 Sr\n0.500000 0.000000 0.583876 Sr\n0.500000 0.500000 0.000000 Mg\n0.500000 0.000000 0.310154 Co\n0.000000 0.500000 0.689849 Co\n0.500000 0.000000 0.096766 S\n0.000000 0.500000 0.903237 S\n0.000000 0.000000 0.295419 O\n0.500000 0.500000 0.294404 O\n0.500000 0.500000 0.705582 O\n0.000000 0.000000 0.704591 O\n0.500000 0.000000 0.432335 O\n0.000000 0.500000 0.567667 O\n","nsites":15,"nelements":5,"elements":["Sr","Mg","Co","S","O"],"chemical_system":"Co-Mg-O-S-Sr","density":4.579513532577822,"density_atomic":0.06337181397142592,"volume":236.69828998051776,"volume_molar":9.50286946609317,"formula_full":"Sr4 Mg1 Co2 S2 O6","formula_reduced":"Sr4MgCo2(SO3)2","formula_anonymous":"AB2C2D4E6","energy_above_hull":1.6550131393333336,"spacegroup":115},{"id":"jvasp-57540","created_at":"2022-09-04T14:37:09.484769Z","updated_at":"2022-09-04T14:37:09.484793Z","structure_string":"K6 Na4 Li2 Te2 O12\n1.0\n6.806181 0.005823 -0.273505\n-0.379433 7.334741 -1.847574\n0.005438 -0.020394 7.573340\nK Na Li Te O\n6 4 2 2 12\ndirect\n0.776951 0.372254 0.404651 K\n0.435673 0.011082 0.109120 K\n0.244091 0.782725 0.701352 K\n0.276951 0.404650 0.372255 K\n0.935673 0.109120 0.011083 K\n0.744091 0.701351 0.782726 K\n0.895734 0.071319 0.613028 Na\n0.395734 0.613028 0.071320 Na\n0.592730 0.857733 0.431953 Na\n0.092730 0.431953 0.857734 Na\n0.246429 0.033629 0.471898 Li\n0.746429 0.471898 0.033629 Li\n0.497456 0.242989 0.758118 Te\n-0.002544 0.758117 0.242989 Te\n0.509725 0.324412 0.031941 O\n0.598984 0.005487 0.768304 O\n0.899805 0.744243 0.481827 O\n0.221360 0.141715 0.743146 O\n0.098984 0.768304 0.005488 O\n0.721359 0.743145 0.141715 O\n0.009725 0.031941 0.324413 O\n0.495972 0.161553 0.486501 O\n0.995972 0.486501 0.161554 O\n0.272893 0.769942 0.345882 O\n0.399805 0.481826 0.744244 O\n0.772893 0.345881 0.769943 O\n","nsites":26,"nelements":5,"elements":["K","Na","Li","Te","O"],"chemical_system":"K-Li-Na-O-Te","density":3.4614458713974634,"density_atomic":0.06881181800002031,"volume":377.84207358091203,"volume_molar":8.751608277517422,"formula_full":"K6 Na4 Li2 Te2 O12","formula_reduced":"K3Na2LiTeO6","formula_anonymous":"ABC2D3E6","energy_above_hull":0.991043135897436,"spacegroup":9}]}