{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-formula_anonymous&page=506","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-formula_anonymous&page=504","results":[{"id":"jvasp-49376","created_at":"2022-09-04T14:37:03.693859Z","updated_at":"2022-09-04T14:37:03.693870Z","structure_string":"Sr6 Sm2 Rh2 O12\n1.0\n6.856208 -0.003463 -0.196881\n-0.202516 6.853218 -0.196881\n-0.003364 -0.003463 6.859034\nSr Sm Rh O\n6 2 2 12\ndirect\n0.750000 0.380067 0.119933 Sr\n0.119933 0.750000 0.380067 Sr\n0.380067 0.119933 0.750000 Sr\n0.880067 0.250001 0.619933 Sr\n0.250000 0.619934 0.880067 Sr\n0.619933 0.880068 0.250000 Sr\n0.250000 0.250000 0.250000 Sm\n0.750000 0.750001 0.750000 Sm\n0.000000 0.000000 0.000000 Rh\n0.500000 0.500001 0.500000 Rh\n0.085570 0.291690 0.951015 O\n0.791690 0.585570 0.451015 O\n0.548985 0.208310 0.414430 O\n0.414430 0.548985 0.208310 O\n0.208310 0.414431 0.548985 O\n0.708311 0.048986 0.914430 O\n0.914430 0.708311 0.048985 O\n0.048985 0.914431 0.708310 O\n0.451015 0.791691 0.585570 O\n0.585570 0.451016 0.791690 O\n0.951015 0.085570 0.291690 O\n0.291690 0.951015 0.085570 O\n","nsites":22,"nelements":4,"elements":["Sr","Sm","Rh","O"],"chemical_system":"O-Rh-Sm-Sr","density":6.308042504118195,"density_atomic":0.06826534368773526,"volume":322.2718704916237,"volume_molar":8.821666214041128,"formula_full":"Sr6 Sm2 Rh2 O12","formula_reduced":"Sr3SmRhO6","formula_anonymous":"ABC3D6","energy_above_hull":1.6391583459090906,"spacegroup":167},{"id":"jvasp-52963","created_at":"2022-09-04T14:37:05.436061Z","updated_at":"2022-09-04T14:37:05.436081Z","structure_string":"Ca6 Mn2 Co2 O12\n1.0\n6.332969 0.012767 -0.216970\n-0.224967 6.328985 -0.216970\n0.012296 0.012767 6.336673\nCa Mn Co O\n6 2 2 12\ndirect\n0.386863 0.113138 0.750000 Ca\n0.613138 0.886862 0.250000 Ca\n0.113138 0.750000 0.386862 Ca\n0.750000 0.386862 0.113138 Ca\n0.886863 0.250001 0.613138 Ca\n0.250000 0.613138 0.886862 Ca\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.250000 0.250000 0.250000 Co\n0.750000 0.750000 0.750000 Co\n0.954823 0.084848 0.286544 O\n0.213457 0.415153 0.545177 O\n0.545178 0.213457 0.415153 O\n0.286543 0.954822 0.084847 O\n0.786544 0.584847 0.454822 O\n0.454822 0.786544 0.584847 O\n0.915153 0.713456 0.045178 O\n0.584848 0.454823 0.786543 O\n0.084848 0.286544 0.954822 O\n0.415153 0.545178 0.213456 O\n0.713457 0.045178 0.915152 O\n0.045178 0.915153 0.713456 O\n","nsites":22,"nelements":4,"elements":["Ca","Mn","Co","O"],"chemical_system":"Ca-Co-Mn-O","density":4.31551929426692,"density_atomic":0.08660220869156426,"volume":254.03509139534188,"volume_molar":6.9537958107373345,"formula_full":"Ca6 Mn2 Co2 O12","formula_reduced":"Ca3MnCoO6","formula_anonymous":"ABC3D6","energy_above_hull":2.047106400125392,"spacegroup":167},{"id":"jvasp-22442","created_at":"2022-09-04T14:37:03.255400Z","updated_at":"2022-09-04T14:37:03.255429Z","structure_string":"Ba6 Na2 Ir2 O12\n1.0\n7.123308 -0.003472 -0.195872\n-0.201236 7.120466 -0.195872\n-0.003378 -0.003472 7.125999\nBa Na Ir O\n6 2 2 12\ndirect\n0.893404 0.606596 0.250000 Ba\n0.249999 0.893405 0.606596 Ba\n0.606595 0.250001 0.893405 Ba\n0.106595 0.393405 0.750000 Ba\n0.750000 0.106596 0.393405 Ba\n0.393404 0.750001 0.106596 Ba\n0.750000 0.750001 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500001 0.500000 Ir\n0.000000 0.000000 0.000000 Ir\n0.949461 0.267447 0.083238 O\n0.767446 0.449462 0.583238 O\n0.416762 0.232554 0.550539 O\n0.550539 0.416762 0.232554 O\n0.232554 0.550539 0.416762 O\n0.732554 0.916763 0.050539 O\n0.050538 0.732555 0.916762 O\n0.916762 0.050539 0.732554 O\n0.583238 0.767447 0.449462 O\n0.449461 0.583239 0.767446 O\n0.083238 0.949462 0.267446 O\n0.267446 0.083239 0.949461 O\n","nsites":22,"nelements":4,"elements":["Ba","Na","Ir","O"],"chemical_system":"Ba-Ir-Na-O","density":6.645225739434842,"density_atomic":0.060870156107504216,"volume":361.4250629018477,"volume_molar":9.893420922667186,"formula_full":"Ba6 Na2 Ir2 O12","formula_reduced":"Ba3NaIrO6","formula_anonymous":"ABC3D6","energy_above_hull":1.7389771827272726,"spacegroup":167},{"id":"jvasp-55735","created_at":"2022-09-04T14:38:33.342446Z","updated_at":"2022-09-04T14:38:33.342474Z","structure_string":"H12 Os1 N5 Cl3 O1\n1.0\n6.173289 0.034936 -2.653293\n-3.504761 5.556220 -1.412713\n0.022037 -0.034936 6.719299\nH Os N Cl O\n12 1 5 3 1\ndirect\n0.465277 0.132592 0.132592 H\n0.160190 0.394045 0.910763 H\n0.839811 0.750574 0.233857 H\n0.516718 0.910763 0.750574 H\n0.160190 0.910763 0.394046 H\n0.839811 0.233856 0.750574 H\n0.483283 0.233856 0.394046 H\n0.516718 0.750573 0.910764 H\n0.534723 0.667315 0.667316 H\n0.000000 0.667315 0.132592 H\n0.000000 0.132591 0.667315 H\n0.483283 0.394046 0.233857 H\n0.000000 0.029671 0.029671 Os\n0.000000 0.238108 0.238108 N\n0.591536 0.812595 0.812596 N\n0.000000 0.812595 0.221059 N\n0.000000 0.221058 0.812595 N\n0.408464 0.221059 0.221059 N\n0.000000 0.751146 0.751147 Cl\n0.500000 0.750702 0.250702 Cl\n0.500000 0.250701 0.750702 Cl\n0.000000 0.378869 0.378869 O\n","nsites":22,"nelements":5,"elements":["H","Os","N","Cl","O"],"chemical_system":"Cl-H-N-O-Os","density":2.837540506994869,"density_atomic":0.09524224502390874,"volume":230.98993513306328,"volume_molar":6.322972288702619,"formula_full":"H12 Os1 N5 Cl3 O1","formula_reduced":"H12OsN5Cl3O","formula_anonymous":"ABC3D5E12","energy_above_hull":3.7500434978409087,"spacegroup":107},{"id":"jvasp-95217","created_at":"2022-09-04T14:36:08.557142Z","updated_at":"2022-09-04T14:36:08.557175Z","structure_string":"Sm2 P6 H10 N2 O20\n1.0\n6.740408 -0.006007 -1.952311\n0.432620 7.412984 -2.207213\n-0.039459 -0.020373 8.634931\nSm P H N O\n2 6 10 2 20\ndirect\n0.772244 0.369177 0.007783 Sm\n0.227756 0.630823 0.992218 Sm\n0.671027 0.694271 0.841919 P\n0.328973 0.305729 0.158081 P\n0.854971 0.965072 0.140068 P\n0.145029 0.034928 0.859932 P\n0.672236 0.772089 0.313205 P\n0.327765 0.227910 0.686796 P\n0.344032 0.694321 0.539443 H\n0.655968 0.305678 0.460557 H\n0.148001 0.602292 0.373855 H\n0.851999 0.397707 0.626145 H\n0.687540 0.802542 0.578977 H\n0.806529 0.181681 0.585111 H\n0.312461 0.197457 0.421023 H\n0.894759 0.251576 0.450051 H\n0.193472 0.818318 0.414890 H\n0.105241 0.748424 0.549949 H\n0.197450 0.714884 0.470009 N\n0.802550 0.285115 0.529992 N\n0.747688 0.855074 0.507533 O\n0.198381 0.392541 0.745680 O\n0.801619 0.607459 0.254320 O\n0.450438 0.753867 0.256250 O\n0.549562 0.246132 0.743750 O\n0.279577 0.061286 0.747767 O\n0.720423 0.938714 0.252233 O\n0.131807 0.834287 0.823011 O\n0.868193 0.165713 0.176989 O\n0.043930 0.849026 0.162892 O\n0.277903 0.099014 0.049650 O\n0.722098 0.900985 0.950350 O\n0.134227 0.425766 0.129910 O\n0.865773 0.574233 0.870091 O\n0.465654 0.368060 0.076730 O\n0.534346 0.631940 0.923270 O\n0.413529 0.296601 0.336580 O\n0.586471 0.703399 0.663420 O\n0.956070 0.150973 0.837109 O\n0.252312 0.144925 0.492467 O\n","nsites":40,"nelements":5,"elements":["Sm","P","H","N","O"],"chemical_system":"H-N-O-P-Sm","density":3.257059596398834,"density_atomic":0.09288877180700073,"volume":430.62255234798283,"volume_molar":6.4831740616750535,"formula_full":"Sm2 P6 H10 N2 O20","formula_reduced":"SmP3H5NO10","formula_anonymous":"ABC3D5E10","energy_above_hull":3.22503768125,"spacegroup":2},{"id":"jvasp-48722","created_at":"2022-09-04T14:36:12.352679Z","updated_at":"2022-09-04T14:36:12.352702Z","structure_string":"Li10 Fe2 O6 F2\n1.0\n-1.820950 -4.695181 -4.351729\n-1.820950 4.695181 -4.351729\n3.675426 0.000000 -2.915152\nLi Fe O F\n10 2 6 2\ndirect\n0.963516 0.546434 0.254484 Li\n0.467956 0.037878 0.743668 Li\n0.212121 0.782043 0.506333 Li\n0.268610 0.268610 0.241708 Li\n0.981390 0.981390 0.008292 Li\n0.037878 0.467956 0.743668 Li\n0.286483 0.703566 0.995517 Li\n0.546434 0.963516 0.254484 Li\n0.703566 0.286483 0.995517 Li\n0.782043 0.212121 0.506333 Li\n0.494361 0.494361 0.493532 Fe\n0.755639 0.755639 0.756469 Fe\n0.228107 0.525600 0.374222 O\n0.525600 0.228107 0.374222 O\n0.770561 0.479438 0.625001 O\n0.479438 0.770561 0.625001 O\n0.724399 0.021893 0.875779 O\n0.021893 0.724399 0.875779 O\n0.979400 0.270600 0.125000 F\n0.270600 0.979400 0.125000 F\n","nsites":20,"nelements":4,"elements":["Li","Fe","O","F"],"chemical_system":"F-Fe-Li-O","density":2.615586167225775,"density_atomic":0.09997948387620885,"volume":200.04104066753646,"volume_molar":6.023376523383946,"formula_full":"Li10 Fe2 O6 F2","formula_reduced":"Li5FeO3F","formula_anonymous":"ABC3D5","energy_above_hull":1.4712696282500002,"spacegroup":12},{"id":"jvasp-111639","created_at":"2022-09-04T14:38:50.605522Z","updated_at":"2022-09-04T14:38:50.605557Z","structure_string":"Li6 Mn2 Co2 O10\n1.0\n2.837731 -0.121105 -0.023109\n-1.121985 7.318654 -1.914989\n0.066874 0.019263 8.037455\nLi Mn Co O\n6 2 2 10\ndirect\n0.587444 0.175395 0.764156 Li\n0.809643 0.618789 0.414183 Li\n0.000000 0.000000 0.000000 Li\n0.190353 0.381211 0.585816 Li\n0.412553 0.824605 0.235843 Li\n-0.000001 -0.000000 0.500000 Li\n0.801590 0.603177 0.898638 Mn\n0.198407 0.396823 0.101361 Mn\n0.597481 0.195009 0.301812 Co\n0.402516 0.804991 0.698187 Co\n0.601759 0.203721 0.533464 O\n0.209223 0.418144 0.862510 O\n0.398238 0.796279 0.466535 O\n0.608905 0.217588 0.056060 O\n0.809097 0.617805 0.668624 O\n0.011525 0.022816 0.251675 O\n-0.011528 0.977183 0.748324 O\n0.190900 0.382195 0.331375 O\n0.391092 0.782412 0.943939 O\n0.790773 0.581856 0.137489 O\n","nsites":20,"nelements":4,"elements":["Li","Mn","Co","O"],"chemical_system":"Co-Li-Mn-O","density":4.2961318434477285,"density_atomic":0.12050752836352935,"volume":165.96473491404578,"volume_molar":4.997314974242351,"formula_full":"Li6 Mn2 Co2 O10","formula_reduced":"Li3MnCoO5","formula_anonymous":"ABC3D5","energy_above_hull":2.406831564137931,"spacegroup":12},{"id":"jvasp-122007","created_at":"2022-09-04T14:38:54.509757Z","updated_at":"2022-09-04T14:38:54.509784Z","structure_string":"Li6 Mn2 Co2 O10\n1.0\n4.886562 -0.002388 1.026375\n4.066407 2.709766 1.026375\n-0.029924 -0.009049 12.494933\nLi Mn Co O\n6 2 2 10\ndirect\n0.701530 0.701530 0.103196 Li\n0.102828 0.102828 0.318996 Li\n0.497483 0.497483 0.494913 Li\n0.902688 0.902688 0.691118 Li\n0.300233 0.300232 0.892438 Li\n0.793699 0.793700 0.407675 Li\n0.000187 0.000187 -0.003604 Mn\n0.402642 0.402642 0.207851 Mn\n0.599911 0.599911 0.798712 Co\n0.198238 0.198238 0.596752 Co\n0.562805 0.562804 0.656176 O\n0.040634 0.040633 0.141803 O\n0.454970 0.454970 0.334574 O\n0.830167 0.830167 0.557426 O\n0.231327 0.231326 0.749409 O\n0.638953 0.638952 0.948306 O\n0.364113 0.364114 0.046873 O\n0.769979 0.769979 0.242336 O\n0.146501 0.146500 0.463152 O\n0.961120 0.961120 0.851886 O\n","nsites":20,"nelements":4,"elements":["Li","Mn","Co","O"],"chemical_system":"Co-Li-Mn-O","density":4.303952835921895,"density_atomic":0.12072690907779886,"volume":165.66314960579,"volume_molar":4.98823402835503,"formula_full":"Li6 Mn2 Co2 O10","formula_reduced":"Li3MnCoO5","formula_anonymous":"ABC3D5","energy_above_hull":2.401548564137931,"spacegroup":8},{"id":"jvasp-112002","created_at":"2022-09-04T14:38:41.585190Z","updated_at":"2022-09-04T14:38:41.585210Z","structure_string":"H10 C6 N2 O2\n1.0\n4.228194 -0.038838 -0.638672\n-1.206288 5.858627 -1.742040\n-0.056279 0.128345 6.230832\nH C N O\n10 6 2 2\ndirect\n0.887997 0.127571 0.032579 H\n0.250353 0.601263 0.253023 H\n0.720912 0.058858 0.473432 H\n0.720913 0.558862 0.973437 H\n0.720934 0.821749 0.710769 H\n0.250341 0.101275 0.753035 H\n0.888185 0.880606 0.279464 H\n0.888167 0.380607 0.779459 H\n0.888014 0.627578 0.532578 H\n0.720936 0.321754 0.210773 H\n0.956921 0.283374 0.176462 C\n0.956927 0.783378 0.676465 C\n0.956959 0.524565 0.935189 C\n0.956965 0.024567 0.435192 C\n0.124168 0.730997 0.882832 C\n0.124169 0.230998 0.382831 C\n0.152431 0.462816 0.114668 N\n0.152434 0.962826 0.614677 N\n0.372888 0.857352 0.009151 O\n0.372888 0.357355 0.509146 O\n","nsites":20,"nelements":4,"elements":["H","C","N","O"],"chemical_system":"C-H-N-O","density":1.5240735300306325,"density_atomic":0.12912853826022352,"volume":154.88442965020968,"volume_molar":4.663679184429401,"formula_full":"H10 C6 N2 O2","formula_reduced":"H5C3NO","formula_anonymous":"ABC3D5","energy_above_hull":4.593955674999999,"spacegroup":6},{"id":"jvasp-119584","created_at":"2022-09-04T14:38:35.776583Z","updated_at":"2022-09-04T14:38:35.776613Z","structure_string":"Li6 Mn2 Co2 O10\n1.0\n4.655250 -0.008768 1.599535\n1.528385 4.702429 0.564065\n0.027954 -0.061514 7.495676\nLi Mn Co O\n6 2 2 10\ndirect\n-0.000001 0.500001 0.500001 Li\n0.596267 0.499977 0.307413 Li\n0.199885 0.499987 0.100218 Li\n0.800113 0.500014 0.899784 Li\n0.403731 0.500023 0.692590 Li\n0.500000 0.000000 0.500001 Li\n0.900299 0.000000 0.699418 Mn\n0.099700 0.000000 0.300584 Mn\n0.300483 -0.000001 0.899039 Co\n0.699516 0.000001 0.100962 Co\n0.140482 0.225365 0.712661 O\n0.646923 0.774610 0.712621 O\n0.221022 0.769048 0.499965 O\n0.859516 0.774636 0.287341 O\n0.443069 0.779902 0.101285 O\n0.044409 0.779898 0.898648 O\n0.353075 0.225390 0.287381 O\n0.955589 0.220103 0.101355 O\n0.556929 0.220099 0.898718 O\n0.778976 0.230953 0.500037 O\n","nsites":20,"nelements":4,"elements":["Li","Mn","Co","O"],"chemical_system":"Co-Li-Mn-O","density":4.3478940264427,"density_atomic":0.12195947000841582,"volume":163.9889054832716,"volume_molar":4.937821359492987,"formula_full":"Li6 Mn2 Co2 O10","formula_reduced":"Li3MnCoO5","formula_anonymous":"ABC3D5","energy_above_hull":2.395329564137931,"spacegroup":12},{"id":"jvasp-118983","created_at":"2022-09-04T14:38:31.528214Z","updated_at":"2022-09-04T14:38:31.528243Z","structure_string":"Li6 Mn2 Co2 O10\n1.0\n2.841393 0.028179 0.117835\n1.318353 6.096087 1.110567\n-0.406356 0.083184 9.592295\nLi Mn Co O\n6 2 2 10\ndirect\n0.684926 0.130309 0.586699 Li\n0.910345 0.678917 0.220342 Li\n0.315070 0.869691 0.413301 Li\n0.499999 0.500000 0.000000 Li\n0.089651 0.321083 0.779659 Li\n-0.000001 0.500000 0.500000 Li\n0.798858 0.902135 0.895886 Mn\n0.201138 0.097865 0.104114 Mn\n0.600820 0.298652 0.305035 Co\n0.399176 0.701348 0.694965 Co\n0.938349 0.623655 0.842311 O\n0.254083 0.991015 0.763757 O\n0.460289 0.579626 0.346109 O\n0.850858 0.797410 0.570792 O\n0.061647 0.376345 0.157689 O\n0.658336 0.182744 0.964430 O\n0.149138 0.202590 0.429208 O\n0.341660 0.817256 0.035570 O\n0.745914 0.008985 0.236243 O\n0.539708 0.420374 0.653891 O\n","nsites":20,"nelements":4,"elements":["Li","Mn","Co","O"],"chemical_system":"Co-Li-Mn-O","density":4.2997510966948385,"density_atomic":0.12060904928495918,"volume":165.82503650075736,"volume_molar":4.993108556698494,"formula_full":"Li6 Mn2 Co2 O10","formula_reduced":"Li3MnCoO5","formula_anonymous":"ABC3D5","energy_above_hull":2.404715564137931,"spacegroup":12},{"id":"jvasp-112763","created_at":"2022-09-04T14:38:42.189140Z","updated_at":"2022-09-04T14:38:42.189166Z","structure_string":"Li6 Mn2 Co2 O10\n1.0\n2.819639 0.000246 -0.390061\n-0.106164 5.706650 -0.764320\n-0.019924 0.003127 10.241615\nLi Mn Co O\n6 2 2 10\ndirect\n0.600016 0.300002 0.199994 Li\n0.600019 0.800001 0.199995 Li\n0.007424 0.510753 0.014628 Li\n0.192606 0.089252 0.385378 Li\n0.398706 0.696929 0.797425 Li\n0.801176 0.903045 0.602584 Li\n0.196781 0.602488 0.393609 Mn\n0.003184 0.997521 0.006389 Mn\n0.399914 0.200727 0.799785 Co\n0.800119 0.399272 0.600214 Co\n0.702088 0.827008 0.404201 O\n0.495675 0.228309 0.991327 O\n0.704338 0.371701 0.408674 O\n0.092259 0.048398 0.184531 O\n0.107734 0.551609 0.215471 O\n0.895456 0.423325 0.790868 O\n0.304589 0.176673 0.609132 O\n0.296972 0.625554 0.593938 O\n0.903060 0.974445 0.806064 O\n0.497916 0.772998 -0.004199 O\n","nsites":20,"nelements":4,"elements":["Li","Mn","Co","O"],"chemical_system":"Co-Li-Mn-O","density":4.327611820281554,"density_atomic":0.12139054926219457,"volume":164.75747182592843,"volume_molar":4.960963432987376,"formula_full":"Li6 Mn2 Co2 O10","formula_reduced":"Li3MnCoO5","formula_anonymous":"ABC3D5","energy_above_hull":2.396949564137931,"spacegroup":12}]}