{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-formula_anonymous&page=4413","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-formula_anonymous&page=4411","results":[{"id":"jvasp-47621","created_at":"2022-09-04T14:38:05.892777Z","updated_at":"2022-09-04T14:38:05.892800Z","structure_string":"Li7 Fe3 Si2 O12\n1.0\n-4.175036 -2.410458 0.000049\n-4.175052 2.410486 0.000025\n1.391758 0.803532 -9.430681\nLi Fe Si O\n7 3 2 12\ndirect\n0.659595 0.666667 0.002044 Li\n0.825033 0.341003 0.498006 Li\n0.416667 0.666667 0.250000 Li\n0.333964 0.341004 0.001993 Li\n0.173737 0.666667 0.497955 Li\n0.499369 0.992330 0.498006 Li\n0.008299 0.992330 0.001993 Li\n0.916667 0.666667 0.749999 Fe\n0.583137 0.333726 0.750000 Fe\n0.250197 -0.000393 0.750000 Fe\n0.083333 0.333332 0.250000 Si\n0.750001 0.000001 0.250000 Si\n0.212114 0.332843 0.636341 O\n0.821074 0.666667 0.355977 O\n0.750399 0.297640 0.144038 O\n0.955044 0.332843 0.863658 O\n0.545078 0.666667 0.633812 O\n0.878291 0.000489 0.636342 O\n0.451962 0.297640 0.355961 O\n0.288255 0.666667 0.866187 O\n0.012258 0.666667 0.144022 O\n0.621219 0.000489 0.863658 O\n0.381373 0.035694 0.144038 O\n0.082935 0.035694 0.355961 O\n","nsites":24,"nelements":4,"elements":["Li","Fe","Si","O"],"chemical_system":"Fe-Li-O-Si","density":4.061617789038472,"density_atomic":0.12643746957944813,"volume":189.81714898145273,"volume_molar":4.762939957617497,"formula_full":"Li7 Fe3 Si2 O12","formula_reduced":"Li7Fe3(SiO6)2","formula_anonymous":"A2B3C7D12","energy_above_hull":2.5844902375,"spacegroup":12},{"id":"jvasp-117314","created_at":"2022-09-04T14:38:26.525036Z","updated_at":"2022-09-04T14:38:26.525073Z","structure_string":"Li7 Mn2 Co3 O12\n1.0\n4.728980 0.018558 -1.551593\n-0.406553 5.547622 -1.137425\n-0.094578 0.077562 7.480357\nLi Mn Co O\n7 2 3 12\ndirect\n0.506996 0.268264 0.005947 Li\n0.512666 0.424888 0.675888 Li\n0.502529 0.731421 0.001562 Li\n0.506219 0.913606 0.667372 Li\n0.488191 0.080972 0.329089 Li\n0.485619 0.580501 0.320560 Li\n-0.001914 0.501597 0.003059 Li\n0.001985 -0.002943 0.003595 Mn\n0.002703 0.173712 0.669343 Mn\n0.001426 0.667779 0.668980 Co\n0.997005 0.829657 0.329868 Co\n0.997421 0.334035 0.331032 Co\n0.227092 0.277870 0.165697 O\n0.778665 0.042522 0.171143 O\n0.773594 0.195155 0.829857 O\n0.769003 0.544094 0.183560 O\n0.771192 0.722287 0.834915 O\n0.782232 0.879051 0.506794 O\n0.780126 0.378169 0.509456 O\n0.232798 0.451333 0.815245 O\n0.210943 0.622857 0.489866 O\n0.223921 0.959707 0.828744 O\n0.220041 0.120746 0.493766 O\n0.229547 0.802713 0.164679 O\n","nsites":24,"nelements":4,"elements":["Li","Mn","Co","O"],"chemical_system":"Co-Li-Mn-O","density":4.468016442908605,"density_atomic":0.12247735781515154,"volume":195.95458644872062,"volume_molar":4.916942092340768,"formula_full":"Li7 Mn2 Co3 O12","formula_reduced":"Li7Mn2(CoO4)3","formula_anonymous":"A2B3C7D12","energy_above_hull":2.689443299281609,"spacegroup":1},{"id":"jvasp-112280","created_at":"2022-09-04T14:38:26.122536Z","updated_at":"2022-09-04T14:38:26.122561Z","structure_string":"Li7 Mn2 Co3 O12\n1.0\n2.821930 -0.040748 0.267358\n-0.000828 4.864060 0.737525\n0.067410 0.208889 14.436653\nLi Mn Co O\n7 2 3 12\ndirect\n0.091030 0.418528 0.817339 Li\n0.743228 0.762733 0.514699 Li\n0.412113 0.079397 0.175876 Li\n0.595904 0.909154 0.807534 Li\n0.246717 0.252837 0.507681 Li\n0.912089 0.579320 0.175917 Li\n0.168327 0.833515 0.663607 Li\n-0.000463 -0.004152 0.001162 Mn\n0.499601 0.496489 0.001032 Mn\n0.332082 0.669414 0.335112 Co\n0.831969 0.169044 0.335334 Co\n0.668263 0.334432 0.663776 Co\n0.797543 0.470026 0.403741 O\n0.536194 0.197709 0.928373 O\n0.205390 0.526247 0.590011 O\n0.869327 0.872079 0.261105 O\n0.036688 0.699146 0.927394 O\n0.707042 0.069751 0.586462 O\n0.369244 0.371232 0.261277 O\n0.628588 0.599157 0.742826 O\n0.296994 0.968090 0.404812 O\n0.960923 0.292627 0.077847 O\n0.130331 0.141127 0.739126 O\n0.460864 0.792098 0.077959 O\n","nsites":24,"nelements":4,"elements":["Li","Mn","Co","O"],"chemical_system":"Co-Li-Mn-O","density":4.430070129080204,"density_atomic":0.12143717268693799,"volume":197.6330597046376,"volume_molar":4.959058768211714,"formula_full":"Li7 Mn2 Co3 O12","formula_reduced":"Li7Mn2(CoO4)3","formula_anonymous":"A2B3C7D12","energy_above_hull":2.693440799281609,"spacegroup":8},{"id":"jvasp-111655","created_at":"2022-09-04T14:38:26.080377Z","updated_at":"2022-09-04T14:38:26.080401Z","structure_string":"Li7 Mn2 Co3 O12\n1.0\n2.838239 0.000000 0.000000\n0.000000 5.609945 1.219133\n0.000000 0.044859 12.429400\nLi Mn Co O\n7 2 3 12\ndirect\n0.000000 0.145526 0.682490 Li\n0.500000 0.991827 0.508945 Li\n0.000000 0.832946 0.334729 Li\n0.500000 0.669735 0.162723 Li\n0.000000 0.517658 0.979566 Li\n0.500000 0.345680 0.827649 Li\n0.500000 0.825074 0.829654 Li\n0.000000 0.001108 0.993114 Mn\n0.000000 0.332768 0.334805 Mn\n0.500000 0.499477 0.500692 Co\n0.500000 0.166439 0.167734 Co\n0.000000 0.668661 0.669900 Co\n0.000000 0.943601 0.162579 O\n0.000000 0.721210 0.505829 O\n0.500000 0.564238 0.337164 O\n0.000000 0.393014 0.176037 O\n0.500000 0.228679 0.010458 O\n0.000000 0.082805 0.847585 O\n0.500000 0.892518 0.665821 O\n0.000000 0.587193 0.821434 O\n0.500000 0.442518 0.656436 O\n0.000000 0.270999 0.492357 O\n0.500000 0.101862 0.329845 O\n0.500000 0.774477 0.002449 O\n","nsites":24,"nelements":4,"elements":["Li","Mn","Co","O"],"chemical_system":"Co-Li-Mn-O","density":4.427445486614314,"density_atomic":0.1213652259341587,"volume":197.7502189384967,"volume_molar":4.961998557368521,"formula_full":"Li7 Mn2 Co3 O12","formula_reduced":"Li7Mn2(CoO4)3","formula_anonymous":"A2B3C7D12","energy_above_hull":2.6921932992816093,"spacegroup":6},{"id":"jvasp-117315","created_at":"2022-09-04T14:38:26.124061Z","updated_at":"2022-09-04T14:38:26.124081Z","structure_string":"Li7 Mn2 Co3 O12\n1.0\n2.843151 -0.000000 0.000000\n0.000000 4.981987 -0.018345\n-0.000000 -0.176919 13.988450\nLi Mn Co O\n7 2 3 12\ndirect\n-0.000000 0.668246 0.174895 Li\n0.500000 0.841932 0.325370 Li\n0.000000 0.001826 0.490493 Li\n0.500000 0.166045 0.664487 Li\n-0.000000 0.334030 0.836741 Li\n0.500000 0.494537 0.007201 Li\n0.500000 0.165262 0.172418 Li\n-0.000000 0.006874 0.004828 Mn\n-0.000000 0.666457 0.665480 Mn\n0.500000 0.500330 0.499951 Co\n0.500000 0.831897 0.832200 Co\n-0.000000 0.331011 0.330623 Co\n-0.000000 0.974443 0.751352 O\n0.000000 0.019323 0.257880 O\n0.500000 0.199440 0.415151 O\n-0.000000 0.357528 0.582205 O\n0.500000 0.519976 0.745262 O\n-0.000000 0.693833 0.908088 O\n0.500000 0.846137 0.072516 O\n-0.000000 0.310279 0.073112 O\n0.500000 0.484409 0.260722 O\n-0.000000 0.634730 0.424428 O\n0.500000 0.815059 0.587415 O\n0.500000 0.136401 0.917182 O\n","nsites":24,"nelements":4,"elements":["Li","Mn","Co","O"],"chemical_system":"Co-Li-Mn-O","density":4.418942100997178,"density_atomic":0.12113213095427718,"volume":198.13075037092426,"volume_molar":4.971546948408867,"formula_full":"Li7 Mn2 Co3 O12","formula_reduced":"Li7Mn2(CoO4)3","formula_anonymous":"A2B3C7D12","energy_above_hull":2.691225799281609,"spacegroup":6},{"id":"jvasp-112918","created_at":"2022-09-04T14:38:43.181898Z","updated_at":"2022-09-04T14:38:43.181915Z","structure_string":"Li7 Mn2 Co3 O12\n1.0\n5.066876 -0.005806 2.498686\n0.597610 6.037513 1.984208\n0.005388 -0.007348 6.403467\nLi Mn Co O\n7 2 3 12\ndirect\n0.582564 0.331184 0.169105 Li\n0.731124 0.018187 0.507587 Li\n0.922650 0.650661 0.837654 Li\n0.084022 0.335077 0.164318 Li\n0.257047 0.009539 0.495888 Li\n0.416278 0.655841 0.824318 Li\n0.340377 0.333268 0.666998 Li\n0.003886 0.008264 0.992682 Mn\n0.169880 0.657781 0.340021 Mn\n0.665041 0.664283 0.335423 Co\n0.833179 0.333048 0.666849 Co\n0.497186 0.002379 0.999141 Co\n0.955838 0.315689 0.913881 O\n0.861433 0.013148 0.766753 O\n0.030268 0.681163 0.097191 O\n0.194673 0.351433 0.418650 O\n0.360814 0.993099 0.773909 O\n0.529105 0.678397 0.103225 O\n0.714179 0.350285 0.425040 O\n0.296385 0.673198 0.558779 O\n0.480857 0.315886 0.908814 O\n0.637727 0.986489 0.233278 O\n0.804034 0.653323 0.567348 O\n0.131469 0.988359 0.233162 O\n","nsites":24,"nelements":4,"elements":["Li","Mn","Co","O"],"chemical_system":"Co-Li-Mn-O","density":4.469390413462589,"density_atomic":0.12251502112398624,"volume":195.89434650394253,"volume_molar":4.9154305363956485,"formula_full":"Li7 Mn2 Co3 O12","formula_reduced":"Li7Mn2(CoO4)3","formula_anonymous":"A2B3C7D12","energy_above_hull":2.689695382614943,"spacegroup":1},{"id":"jvasp-116511","created_at":"2022-09-04T14:38:42.962582Z","updated_at":"2022-09-04T14:38:42.962607Z","structure_string":"Li7 Mn2 Co3 O12\n1.0\n2.847664 -0.074079 0.056779\n0.122016 4.919009 0.130511\n-0.307913 -0.183435 14.179189\nLi Mn Co O\n7 2 3 12\ndirect\n0.001080 0.332649 0.653457 Li\n0.498773 0.149062 0.357007 Li\n0.000000 0.000000 0.000000 Li\n0.501228 0.850938 0.642993 Li\n-0.001078 0.667352 0.346543 Li\n0.500000 0.500000 0.000000 Li\n0.000001 0.000000 0.500000 Li\n-0.000649 0.672200 0.832486 Mn\n0.000651 0.327801 0.167514 Mn\n0.499353 0.170800 0.833672 Co\n0.500649 0.829201 0.166328 Co\n0.500001 0.500000 0.500000 Co\n0.501234 0.493370 0.237535 O\n0.498767 0.506631 0.762465 O\n-0.000607 0.346953 0.425356 O\n0.500081 0.165476 0.090851 O\n0.998729 0.004169 0.763032 O\n0.499691 0.806425 0.421708 O\n0.000073 0.661043 0.091995 O\n0.500311 0.193575 0.578292 O\n0.001271 -0.004169 0.236968 O\n0.499921 0.834525 0.909149 O\n0.000609 0.653048 0.574644 O\n-0.000071 0.338958 0.908005 O\n","nsites":24,"nelements":4,"elements":["Li","Mn","Co","O"],"chemical_system":"Co-Li-Mn-O","density":4.40181517291319,"density_atomic":0.12066264725250023,"volume":198.9016530507348,"volume_molar":4.990890633617535,"formula_full":"Li7 Mn2 Co3 O12","formula_reduced":"Li7Mn2(CoO4)3","formula_anonymous":"A2B3C7D12","energy_above_hull":2.6932391326149427,"spacegroup":10},{"id":"jvasp-122017","created_at":"2022-09-04T14:38:54.468009Z","updated_at":"2022-09-04T14:38:54.468037Z","structure_string":"Li7 Mn2 Co3 O12\n1.0\n4.891269 -0.027549 0.467870\n0.719490 4.699467 1.471990\n0.018553 0.011913 8.545450\nLi Mn Co O\n7 2 3 12\ndirect\n0.244846 0.419006 0.090502 Li\n0.748360 0.586940 0.912385 Li\n0.251353 0.747495 0.742010 Li\n0.235763 0.082409 0.419059 Li\n0.761101 0.249205 0.262298 Li\n0.762795 0.915138 0.573852 Li\n0.000450 0.658876 0.341318 Li\n0.999196 0.000241 0.000700 Mn\n0.499900 0.827105 0.175207 Mn\n0.000331 0.335218 0.663262 Co\n0.499847 0.500816 0.498059 Co\n0.499633 0.166358 0.832914 Co\n0.863089 0.657184 0.116171 O\n0.135620 0.037101 0.192580 O\n0.633690 0.186133 0.037244 O\n0.129398 0.350683 0.870272 O\n0.135827 0.680001 0.547001 O\n0.605942 0.862376 0.368642 O\n0.630224 0.509752 0.702840 O\n0.365804 0.812505 0.963268 O\n0.869601 0.980974 0.797296 O\n0.369599 0.154889 0.631922 O\n0.392670 0.480558 0.290564 O\n0.864957 0.299037 0.470637 O\n","nsites":24,"nelements":4,"elements":["Li","Mn","Co","O"],"chemical_system":"Co-Li-Mn-O","density":4.456185399799469,"density_atomic":0.12215304502026376,"volume":196.47484019754629,"volume_molar":4.929996431117209,"formula_full":"Li7 Mn2 Co3 O12","formula_reduced":"Li7Mn2(CoO4)3","formula_anonymous":"A2B3C7D12","energy_above_hull":2.6894591326149424,"spacegroup":1},{"id":"jvasp-12545","created_at":"2022-09-04T14:38:26.807028Z","updated_at":"2022-09-04T14:38:26.807056Z","structure_string":"Rb3 Mn2 Cl7\n1.0\n4.938390 -0.000000 -0.936730\n-0.177682 4.935192 -0.936730\n0.008124 0.008422 13.528661\nRb Mn Cl\n3 2 7\ndirect\n0.181633 0.181633 0.363265 Rb\n0.818367 0.818366 0.636735 Rb\n0.000000 0.000000 0.000000 Rb\n0.401534 0.401534 0.803069 Mn\n0.598466 0.598465 0.196931 Mn\n0.905342 0.405342 0.810685 Cl\n0.405342 0.905341 0.810685 Cl\n0.094658 0.594657 0.189315 Cl\n0.594658 0.094658 0.189315 Cl\n0.693879 0.693878 0.387757 Cl\n0.500000 0.500000 -0.000000 Cl\n0.306121 0.306121 0.612243 Cl\n","nsites":12,"nelements":3,"elements":["Rb","Mn","Cl"],"chemical_system":"Cl-Mn-Rb","density":3.0937778174440984,"density_atomic":0.03638600500408579,"volume":329.79712938126943,"volume_molar":16.550706128149468,"formula_full":"Rb3 Mn2 Cl7","formula_reduced":"Rb3Mn2Cl7","formula_anonymous":"A2B3C7","energy_above_hull":0.5126310796048849,"spacegroup":139},{"id":"jvasp-46527","created_at":"2022-09-04T14:38:15.901949Z","updated_at":"2022-09-04T14:38:15.901973Z","structure_string":"Ba3 Ti2 O7\n1.0\n4.058439 0.002591 0.000260\n-0.012696 4.058595 -0.000607\n-2.024559 -2.028192 10.697567\nBa Ti O\n3 2 7\ndirect\n0.439695 0.428916 0.367399 Ba\n0.257558 0.243565 0.999924 Ba\n0.072072 0.061565 0.632446 Ba\n0.864129 0.826912 0.189861 Ti\n0.674082 0.637085 0.809983 Ti\n0.931856 0.942673 0.373305 O\n0.842092 0.356697 0.188746 O\n0.144326 0.659186 0.811100 O\n0.653140 0.167996 0.811099 O\n0.333274 0.847864 0.188747 O\n0.744401 0.756732 0.999924 O\n0.558258 0.569463 0.626540 O\n","nsites":12,"nelements":3,"elements":["Ba","Ti","O"],"chemical_system":"Ba-O-Ti","density":5.840157585168121,"density_atomic":0.06810322050340553,"volume":176.20312095813347,"volume_molar":8.84266663967655,"formula_full":"Ba3 Ti2 O7","formula_reduced":"Ba3Ti2O7","formula_anonymous":"A2B3C7","energy_above_hull":2.146005756388889,"spacegroup":42},{"id":"jvasp-117347","created_at":"2022-09-04T14:38:26.483302Z","updated_at":"2022-09-04T14:38:26.483321Z","structure_string":"Sb4 Cl14 F6\n1.0\n7.476133 0.035048 6.368280\n3.616891 6.543080 6.368280\n0.048542 0.028785 12.698373\nSb Cl F\n4 14 6\ndirect\n0.243785 0.212183 0.821663 Sb\n0.787817 0.756215 0.178337 Sb\n0.011065 0.890586 0.276460 Sb\n0.109414 -0.011065 0.723540 Sb\n0.099341 0.450329 0.189279 Cl\n0.549670 0.900659 0.810721 Cl\n0.289891 0.135124 0.479326 Cl\n0.864876 0.710109 0.520674 Cl\n0.600743 0.650011 0.431863 Cl\n0.349989 0.399257 0.568137 Cl\n0.701269 0.697760 0.083765 Cl\n0.310649 0.605881 0.208363 Cl\n0.394118 0.689351 0.791637 Cl\n0.787255 0.282265 0.738899 Cl\n0.717735 0.212745 0.261101 Cl\n0.041077 0.839201 0.688024 Cl\n0.160799 -0.041077 0.311975 Cl\n0.302239 0.298731 0.916235 Cl\n0.119083 0.042452 0.038132 F\n0.144257 0.116838 0.787929 F\n0.883162 0.855743 0.212071 F\n-0.037603 0.423195 0.855231 F\n0.576805 0.037602 0.144768 F\n0.957547 0.880918 0.961868 F\n","nsites":24,"nelements":3,"elements":["Sb","Cl","F"],"chemical_system":"Cl-F-Sb","density":2.9541534481485576,"density_atomic":0.0389082012697363,"volume":616.8365336042341,"volume_molar":15.477818463646532,"formula_full":"Sb4 Cl14 F6","formula_reduced":"Sb2Cl7F3","formula_anonymous":"A2B3C7","energy_above_hull":0.2896623424739584,"spacegroup":5},{"id":"jvasp-112321","created_at":"2022-09-04T14:38:26.538753Z","updated_at":"2022-09-04T14:38:26.538780Z","structure_string":"Sr6 Sn4 S14\n1.0\n4.009073 -0.000000 0.000000\n0.000000 11.522635 0.000000\n-0.000000 -0.000000 12.808981\nSr Sn S\n6 4 14\ndirect\n0.500000 0.115269 0.150647 Sr\n0.500000 0.884730 0.849353 Sr\n0.500000 0.384731 0.650647 Sr\n0.500000 0.615269 0.349353 Sr\n0.500000 0.000000 0.500000 Sr\n0.500000 0.500000 -0.000000 Sr\n-0.000000 0.282694 0.394115 Sn\n-0.000000 0.717306 0.605885 Sn\n-0.000000 0.217306 0.894115 Sn\n-0.000000 0.782694 0.105885 Sn\n-0.000000 0.797484 0.430455 S\n-0.000000 0.202515 0.569545 S\n-0.000000 0.702515 0.930455 S\n-0.000000 0.297484 0.069545 S\n-0.000000 0.580739 0.176708 S\n-0.000000 0.419260 0.823292 S\n0.500000 0.647338 0.706551 S\n-0.000000 0.080740 0.323292 S\n0.500000 0.852662 0.206551 S\n0.500000 0.147338 0.793449 S\n0.000000 0.000000 0.000000 S\n0.500000 0.352662 0.293449 S\n-0.000000 0.919260 0.676708 S\n-0.000000 0.500000 0.500000 S\n","nsites":24,"nelements":3,"elements":["Sr","Sn","S"],"chemical_system":"S-Sn-Sr","density":4.067691217754433,"density_atomic":0.04056027500810372,"volume":591.7119643593376,"volume_molar":14.847386411450142,"formula_full":"Sr6 Sn4 S14","formula_reduced":"Sr3Sn2S7","formula_anonymous":"A2B3C7","energy_above_hull":1.141822694166667,"spacegroup":55}]}