{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=nelements&page=4393","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=nelements&page=4391","results":[{"id":"jvasp-112904","created_at":"2022-09-04T14:38:44.577805Z","updated_at":"2022-09-04T14:38:44.577835Z","structure_string":"Li4 Mn2 Co2 O8\n1.0\n4.658455 0.000171 -1.621070\n-0.000225 5.808450 0.000013\n0.037539 -0.000016 5.090560\nLi Mn Co O\n4 2 2 8\ndirect\n0.500004 0.004591 0.500003 Li\n-0.000004 0.245415 0.499998 Li\n0.500001 0.498299 0.500003 Li\n0.000002 0.751697 0.499998 Li\n-0.000001 0.498107 -0.000001 Mn\n0.500001 0.751890 0.000002 Mn\n0.499994 0.233852 -0.000000 Co\n0.000006 0.016148 -0.000000 Co\n0.735980 0.979677 0.242585 O\n0.235979 0.270322 0.242588 O\n0.264025 0.979675 0.757412 O\n0.764022 0.270320 0.757418 O\n0.750149 0.512225 0.221148 O\n0.250158 0.737776 0.221150 O\n0.249853 0.512226 0.778851 O\n0.749848 0.737776 0.778851 O\n","nsites":16,"nelements":4,"elements":["Li","Mn","Co","O"],"chemical_system":"Co-Li-Mn-O","density":4.6114300233089365,"density_atomic":0.1158615241105737,"volume":138.0958875073163,"volume_molar":5.197705455913651,"formula_full":"Li4 Mn2 Co2 O8","formula_reduced":"Li2MnCoO4","formula_anonymous":"ABC2D4","energy_above_hull":2.4708840176724136,"spacegroup":13},{"id":"jvasp-112537","created_at":"2022-09-04T14:38:40.627369Z","updated_at":"2022-09-04T14:38:40.627384Z","structure_string":"Cu4 Ni4 Sb4 S12\n1.0\n4.865227 0.000000 0.000000\n0.000000 7.490678 0.000000\n0.000000 0.000000 12.392772\nCu Ni Sb S\n4 4 4 12\ndirect\n0.520523 0.618034 0.939801 Cu\n0.020523 0.881966 0.060199 Cu\n0.479477 0.118034 0.560199 Cu\n0.979478 0.381966 0.439801 Cu\n0.989872 0.868742 0.747850 Ni\n0.489872 0.631259 0.252150 Ni\n0.010129 0.368741 0.752150 Ni\n0.510129 0.131259 0.247850 Ni\n0.431114 0.127706 0.864542 Sb\n0.931115 0.372294 0.135457 Sb\n0.568886 0.627706 0.635457 Sb\n0.068886 0.872294 0.364542 Sb\n0.782007 0.370186 0.910192 S\n0.770657 0.870167 0.905881 S\n0.270657 0.629833 0.094119 S\n0.229343 0.370167 0.594119 S\n0.729344 0.129833 0.405881 S\n0.221619 0.622053 0.796112 S\n0.721619 0.877947 0.203888 S\n0.778382 0.122053 0.703888 S\n0.278381 0.377947 0.296112 S\n0.217994 0.870186 0.589807 S\n0.717994 0.629814 0.410192 S\n0.282006 0.129814 0.089807 S\n","nsites":24,"nelements":4,"elements":["Cu","Ni","Sb","S"],"chemical_system":"Cu-Ni-S-Sb","density":5.003150333305506,"density_atomic":0.05313963232966594,"volume":451.6403096489184,"volume_molar":11.332672989982386,"formula_full":"Cu4 Ni4 Sb4 S12","formula_reduced":"CuNiSbS3","formula_anonymous":"ABCD3","energy_above_hull":1.3982914916666669,"spacegroup":19},{"id":"jvasp-117195","created_at":"2022-09-04T14:38:49.354834Z","updated_at":"2022-09-04T14:38:49.354856Z","structure_string":"Sr4 Pr2 Fe6 O18\n1.0\n5.414683 -0.001073 0.034149\n2.712013 4.686553 0.034149\n-0.042284 -0.024379 13.272983\nSr Pr Fe O\n4 2 6 18\ndirect\n0.833082 0.833083 0.082001 Sr\n0.166273 0.166273 0.418163 Sr\n0.166918 0.166917 0.917999 Sr\n0.833727 0.833727 0.581837 Sr\n0.502095 0.502095 0.750060 Pr\n0.497905 0.497905 0.249940 Pr\n0.165937 0.165937 0.665874 Fe\n0.834063 0.834063 0.334126 Fe\n0.499999 0.500000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.167346 0.167346 0.165898 Fe\n0.832654 0.832654 0.834102 Fe\n0.670922 0.179967 0.909159 O\n0.327917 0.327917 0.077712 O\n0.343856 0.343856 0.595071 O\n0.009016 0.009015 0.257788 O\n0.672083 0.672083 0.922288 O\n0.342901 0.836136 0.582082 O\n0.012532 0.509124 0.246058 O\n0.490876 0.987468 0.753941 O\n0.987468 0.490876 0.753941 O\n0.820032 0.329078 0.090840 O\n0.836136 0.342901 0.582082 O\n0.509124 0.012532 0.246058 O\n0.179968 0.670921 0.909159 O\n0.656144 0.656144 0.404929 O\n0.657099 0.163864 0.417917 O\n0.329078 0.820033 0.090840 O\n0.163864 0.657099 0.417917 O\n0.990984 0.990985 0.742212 O\n","nsites":30,"nelements":4,"elements":["Sr","Pr","Fe","O"],"chemical_system":"Fe-O-Pr-Sr","density":6.18812314001776,"density_atomic":0.08905631501447213,"volume":336.8654990398473,"volume_molar":6.762171508018684,"formula_full":"Sr4 Pr2 Fe6 O18","formula_reduced":"Sr2Pr(FeO3)3","formula_anonymous":"AB2C3D9","energy_above_hull":2.536358031333333,"spacegroup":12},{"id":"jvasp-113171","created_at":"2022-09-04T14:38:44.168441Z","updated_at":"2022-09-04T14:38:44.168471Z","structure_string":"Li4 Mn2 P4 O14\n1.0\n7.447333 0.083326 3.035623\n5.832992 4.630974 3.035623\n-0.146819 -0.052118 8.707027\nLi Mn P O\n4 2 4 14\ndirect\n0.813483 0.567357 0.949880 Li\n0.432642 0.186516 0.550121 Li\n0.567357 0.813483 0.449879 Li\n0.186516 0.432643 0.050120 Li\n0.500000 0.500000 0.500000 Mn\n0.500000 0.500000 -0.000000 Mn\n0.207227 0.999439 0.191917 P\n0.000561 0.792773 0.308083 P\n0.792773 0.000561 0.808083 P\n0.999439 0.207227 0.691917 P\n0.354759 0.854208 0.347825 O\n0.942639 0.057360 0.250000 O\n0.297038 0.055614 0.629920 O\n0.854208 0.354759 0.847825 O\n0.057360 0.942639 0.750000 O\n0.645241 0.145791 0.652175 O\n0.580311 0.211491 0.940417 O\n0.788509 0.419689 0.559584 O\n0.419689 0.788509 0.059583 O\n0.211491 0.580311 0.440416 O\n0.055614 0.297038 0.129920 O\n0.145791 0.645241 0.152175 O\n0.944386 0.702962 0.870080 O\n0.702962 0.944386 0.370080 O\n","nsites":24,"nelements":4,"elements":["Li","Mn","P","O"],"chemical_system":"Li-Mn-O-P","density":2.7023911937412164,"density_atomic":0.08044465800563862,"volume":298.34174940886396,"volume_molar":7.486066706353441,"formula_full":"Li4 Mn2 P4 O14","formula_reduced":"Li2MnP2O7","formula_anonymous":"AB2C2D7","energy_above_hull":2.702845228448276,"spacegroup":15},{"id":"jvasp-120555","created_at":"2022-09-04T14:38:45.591550Z","updated_at":"2022-09-04T14:38:45.591577Z","structure_string":"Ti4 Cr4 Cu4 S16\n1.0\n5.862843 -0.000000 0.000000\n0.000000 6.826013 0.000000\n0.000000 -0.000000 12.325099\nTi Cr Cu S\n4 4 4 16\ndirect\n0.500000 0.250000 0.250000 Ti\n0.500000 0.750000 0.750000 Ti\n0.500000 0.750000 0.250000 Ti\n0.500000 0.250000 0.750000 Ti\n0.998150 0.000000 0.247059 Cr\n0.998150 0.000000 0.752941 Cr\n0.001849 0.500000 0.252941 Cr\n0.001849 0.500000 0.747059 Cr\n0.967038 0.500000 -0.000000 Cu\n0.032961 0.000000 0.500000 Cu\n0.639895 0.500000 0.500000 Cu\n0.360105 0.000000 -0.000000 Cu\n0.327198 0.000000 0.636366 S\n0.327198 0.000000 0.363634 S\n0.334967 0.500000 0.635320 S\n0.334967 0.500000 0.364680 S\n0.665032 0.000000 0.864680 S\n0.665032 0.000000 0.135320 S\n0.838921 0.252568 0.634437 S\n0.838921 0.747431 0.634437 S\n0.161079 0.752568 0.865563 S\n0.161079 0.247431 0.134437 S\n0.161079 0.247431 0.865563 S\n0.161079 0.752568 0.134437 S\n0.672802 0.500000 0.136366 S\n0.838921 0.252568 0.365563 S\n0.838921 0.747431 0.365563 S\n0.672802 0.500000 0.863634 S\n","nsites":28,"nelements":4,"elements":["Ti","Cr","Cu","S"],"chemical_system":"Cr-Cu-S-Ti","density":3.927658486510001,"density_atomic":0.056766515855817476,"volume":493.2485212077806,"volume_molar":10.608614372768216,"formula_full":"Ti4 Cr4 Cu4 S16","formula_reduced":"TiCrCuS4","formula_anonymous":"ABCD4","energy_above_hull":2.448818026190477,"spacegroup":59},{"id":"jvasp-112046","created_at":"2022-09-04T14:38:43.441912Z","updated_at":"2022-09-04T14:38:43.441930Z","structure_string":"Ti1 H2 C2 O6\n1.0\n4.411506 0.047577 1.967591\n1.334529 4.668161 2.811450\n0.137724 0.131865 5.606368\nTi H C O\n1 2 2 6\ndirect\n0.476893 0.238163 0.013433 Ti\n0.002412 0.672661 0.039018 H\n0.948981 0.212086 0.577420 H\n0.565502 0.791207 0.554846 C\n0.388020 0.696898 0.460514 C\n0.093047 0.465755 0.153744 O\n0.859813 0.097956 0.785066 O\n0.627687 0.036163 0.372395 O\n0.631193 0.624095 0.793618 O\n0.325995 0.879238 0.215494 O\n0.322265 0.458171 0.627628 O\n","nsites":11,"nelements":4,"elements":["Ti","H","C","O"],"chemical_system":"C-H-O-Ti","density":2.5063752490085007,"density_atomic":0.0977224988583792,"volume":112.56363814377436,"volume_molar":6.162491575995585,"formula_full":"Ti1 H2 C2 O6","formula_reduced":"TiH2(CO3)2","formula_anonymous":"AB2C2D6","energy_above_hull":3.76438993939394,"spacegroup":5},{"id":"jvasp-116724","created_at":"2022-09-04T14:38:44.670847Z","updated_at":"2022-09-04T14:38:44.670870Z","structure_string":"Ag6 Sb1 As1 S6\n1.0\n6.804763 0.020447 -1.445904\n-1.789508 6.565279 -1.445904\n0.015571 0.020447 6.956667\nAg Sb As S\n6 1 1 6\ndirect\n0.967807 0.789351 0.437857 Ag\n0.437856 0.967809 0.789351 Ag\n0.789350 0.437857 0.967809 Ag\n0.939126 0.257702 0.455947 Ag\n0.455945 0.939127 0.257703 Ag\n0.257701 0.455946 0.939127 Ag\n0.532369 0.532370 0.532370 Sb\n0.011931 0.011931 0.011931 As\n0.103195 0.771075 0.786454 S\n0.786452 0.103196 0.771075 S\n0.771073 0.786453 0.103196 S\n0.287263 0.262855 0.617073 S\n0.617072 0.287264 0.262855 S\n0.262854 0.617073 0.287264 S\n","nsites":14,"nelements":4,"elements":["Ag","Sb","As","S"],"chemical_system":"Ag-As-S-Sb","density":5.5251420717334625,"density_atomic":0.04495157741132095,"volume":311.4462451872519,"volume_molar":13.396950912079312,"formula_full":"Ag6 Sb1 As1 S6","formula_reduced":"Ag6SbAsS6","formula_anonymous":"ABC6D6","energy_above_hull":1.1952422435714285,"spacegroup":146},{"id":"jvasp-112028","created_at":"2022-09-04T14:38:43.421220Z","updated_at":"2022-09-04T14:38:43.421242Z","structure_string":"Ca2 H20 C14 O8\n1.0\n4.368025 -0.069543 -0.255811\n-1.232684 7.456182 -0.863200\n0.016742 0.137382 11.305441\nCa H C O\n2 20 14 8\ndirect\n0.927212 0.500243 0.819485 Ca\n0.927212 0.000243 0.819485 Ca\n0.192594 0.078427 0.398203 H\n0.190466 0.807368 0.443804 H\n0.190466 0.307368 0.443803 H\n0.735025 0.840392 0.541675 H\n0.735024 0.340393 0.541675 H\n0.736823 0.114912 0.498693 H\n0.736824 0.614912 0.498693 H\n0.669459 0.667525 0.287188 H\n0.669458 0.167526 0.287188 H\n0.192595 0.578427 0.398203 H\n0.668959 0.394211 0.334348 H\n0.668960 0.894211 0.334348 H\n0.659316 0.745855 0.073616 H\n0.658073 0.969401 0.128543 H\n0.658072 0.469401 0.128543 H\n0.659316 0.245855 0.073616 H\n0.145377 0.869588 0.220257 H\n0.159577 0.145465 0.167351 H\n0.159577 0.645465 0.167351 H\n0.145377 0.369588 0.220257 H\n0.503705 0.840762 0.098372 C\n0.503705 0.340762 0.098372 C\n0.306159 0.776613 0.198238 C\n0.306159 0.276613 0.198238 C\n0.513596 0.763566 0.309558 C\n0.513595 0.263566 0.309558 C\n0.342862 0.711028 0.418813 C\n0.579465 0.709448 0.523117 C\n0.579465 0.209449 0.523117 C\n0.329898 0.861774 0.982906 C\n0.329898 0.361774 0.982906 C\n0.464088 0.657254 0.640811 C\n0.464087 0.157254 0.640811 C\n0.342861 0.211029 0.418813 C\n0.657579 0.214098 0.733134 O\n0.204928 0.056483 0.646006 O\n0.204929 0.556482 0.646006 O\n0.453669 0.475602 0.916288 O\n0.453670 0.975602 0.916288 O\n0.059453 0.268122 0.952427 O\n0.059453 0.768122 0.952427 O\n0.657580 0.714097 0.733134 O\n","nsites":44,"nelements":4,"elements":["Ca","H","C","O"],"chemical_system":"C-Ca-H-O","density":1.7897878127976212,"density_atomic":0.11962059767186516,"volume":367.82962847834716,"volume_molar":5.0343677236252535,"formula_full":"Ca2 H20 C14 O8","formula_reduced":"CaH10C7O4","formula_anonymous":"AB4C7D10","energy_above_hull":4.423175655454545,"spacegroup":1},{"id":"jvasp-116731","created_at":"2022-09-04T14:38:44.692258Z","updated_at":"2022-09-04T14:38:44.692290Z","structure_string":"Ti2 Cr2 Ag2 S8\n1.0\n6.321194 -0.004116 -3.524941\n-2.114713 5.892119 -3.632305\n-0.004197 0.004116 7.237588\nTi Cr Ag S\n2 2 2 8\ndirect\n0.992784 0.721216 0.228431 Ti\n0.007215 0.235647 0.728432 Ti\n0.499999 0.255042 0.755042 Cr\n0.000000 0.255042 0.255042 Cr\n0.372303 0.886552 0.014248 Ag\n0.627697 0.641945 0.514248 Ag\n0.757858 0.484026 0.226168 S\n0.759871 0.481853 0.766280 S\n0.215572 0.481852 0.221981 S\n0.765351 0.053682 0.788329 S\n0.234648 0.022977 0.288329 S\n0.242142 0.468310 0.726168 S\n0.784427 0.006408 0.266279 S\n0.240128 0.006409 0.721981 S\n","nsites":14,"nelements":4,"elements":["Ti","Cr","Ag","S"],"chemical_system":"Ag-Cr-S-Ti","density":4.13983456064632,"density_atomic":0.05194023333091744,"volume":269.5405681142078,"volume_molar":11.594366012243766,"formula_full":"Ti2 Cr2 Ag2 S8","formula_reduced":"TiCrAgS4","formula_anonymous":"ABCD4","energy_above_hull":2.46550899904762,"spacegroup":46},{"id":"jvasp-116818","created_at":"2022-09-04T14:38:44.497564Z","updated_at":"2022-09-04T14:38:44.497589Z","structure_string":"Li2 Fe4 O2 F10\n1.0\n8.785104 -0.017496 1.436223\n-7.509800 4.558647 1.436223\n-0.000167 -0.000594 5.288120\nLi Fe O F\n2 4 2 10\ndirect\n0.453843 0.546157 0.499999 Li\n0.220774 0.779226 -0.000001 Li\n0.963495 0.036504 0.500000 Fe\n0.620669 0.379331 0.500000 Fe\n0.288311 0.711690 0.499999 Fe\n0.042922 0.957079 -0.000001 Fe\n0.273116 0.193768 0.551120 O\n0.806232 0.726884 0.448879 O\n0.628841 0.868418 0.499050 F\n0.965545 0.554945 0.464575 F\n0.131583 0.371160 0.500948 F\n0.088008 0.507386 0.904617 F\n0.445055 0.034455 0.535424 F\n0.193661 0.266633 0.048548 F\n0.395634 0.138871 0.949562 F\n0.492615 0.911993 0.095381 F\n0.861129 0.604366 0.050437 F\n0.733367 0.806339 0.951450 F\n","nsites":18,"nelements":4,"elements":["Li","Fe","O","F"],"chemical_system":"F-Fe-Li-O","density":3.612480692660703,"density_atomic":0.08526772276602457,"volume":211.09980911994293,"volume_molar":7.062626471830156,"formula_full":"Li2 Fe4 O2 F10","formula_reduced":"LiFe2OF5","formula_anonymous":"ABC2D5","energy_above_hull":0.9716151013888884,"spacegroup":5},{"id":"jvasp-112169","created_at":"2022-09-04T14:38:45.602727Z","updated_at":"2022-09-04T14:38:45.602747Z","structure_string":"Cd1 H6 C5 O4\n1.0\n3.884174 0.065607 0.338779\n1.152716 4.069112 0.427060\n0.115541 0.037834 9.086751\nCd H C O\n1 6 5 4\ndirect\n0.394660 0.388224 0.237859 Cd\n0.836101 0.304978 0.601678 H\n0.521480 0.094167 0.590780 H\n0.232866 0.777363 0.741408 H\n0.827857 0.222514 0.890653 H\n0.885926 0.597082 0.737116 H\n0.458739 0.077201 0.876318 H\n0.003394 0.931494 0.454239 C\n0.810868 0.055144 0.599319 C\n0.939811 0.835470 0.739151 C\n0.752167 -0.003631 0.879715 C\n0.845392 0.781984 0.022735 C\n0.944950 0.133511 0.336071 O\n0.218636 0.643564 0.453578 O\n0.134240 0.543676 0.021144 O\n0.632720 0.846458 0.140006 O\n","nsites":16,"nelements":4,"elements":["Cd","H","C","O"],"chemical_system":"C-Cd-H-O","density":2.8214655555640236,"density_atomic":0.11210279788989898,"volume":142.7261433359968,"volume_molar":5.371980783133179,"formula_full":"Cd1 H6 C5 O4","formula_reduced":"CdH6C5O4","formula_anonymous":"AB4C5D6","energy_above_hull":4.121493359374999,"spacegroup":1},{"id":"jvasp-112768","created_at":"2022-09-04T14:38:43.533058Z","updated_at":"2022-09-04T14:38:43.533080Z","structure_string":"Na1 V4 Cd3 O12\n1.0\n5.276644 -0.007431 -0.017337\n-0.038479 5.331235 -0.017526\n0.025203 0.025438 7.536226\nNa V Cd O\n1 4 3 12\ndirect\n0.504898 0.531976 0.250023 Na\n0.996529 0.500786 0.005000 V\n0.503366 0.001438 0.496672 V\n0.996555 0.500792 0.494993 V\n0.503349 0.001424 0.003331 V\n0.998647 0.029399 0.249979 Cd\n0.490670 0.470456 0.750006 Cd\n0.006863 0.968082 0.749992 Cd\n0.063732 0.481990 0.250000 O\n0.426873 0.990281 0.250003 O\n0.711977 0.285816 0.034310 O\n0.793507 0.791192 0.458683 O\n0.293236 0.707849 0.536812 O\n0.711998 0.285831 0.465694 O\n0.293220 0.707852 0.963188 O\n0.207728 0.208491 0.539645 O\n0.577367 0.013910 0.750003 O\n0.793479 0.791167 0.041311 O\n0.207694 0.208464 0.960350 O\n0.918297 0.522819 0.749999 O\n","nsites":20,"nelements":4,"elements":["Na","V","Cd","O"],"chemical_system":"Cd-Na-O-V","density":5.921279370554876,"density_atomic":0.094337691049929,"volume":212.00434076147607,"volume_molar":6.383599908983073,"formula_full":"Na1 V4 Cd3 O12","formula_reduced":"NaV4Cd3O12","formula_anonymous":"AB3C4D12","energy_above_hull":2.4201808525,"spacegroup":6}]}