{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=nsites&page=3517","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=nsites&page=3515","results":[{"id":"jvasp-121799","created_at":"2022-09-04T14:38:55.567848Z","updated_at":"2022-09-04T14:38:55.567877Z","structure_string":"Ti6 H6 Au2\n1.0\n5.288407 -0.000000 0.000000\n0.000000 5.288407 0.000000\n0.000000 -0.000000 5.288407\nTi H Au\n6 6 2\ndirect\n-0.000000 0.500000 0.750000 Ti\n0.500000 0.250000 -0.000000 Ti\n0.750000 0.000000 0.500000 Ti\n-0.000000 0.500000 0.250000 Ti\n0.500000 0.750000 -0.000000 Ti\n0.250000 0.000000 0.500000 Ti\n0.500000 0.000000 0.750000 H\n-0.000000 0.250000 0.500000 H\n0.750000 0.500000 -0.000000 H\n0.500000 0.000000 0.250000 H\n-0.000000 0.750000 0.500000 H\n0.250000 0.500000 -0.000000 H\n0.500000 0.500000 0.500000 Au\n0.000000 0.000000 0.000000 Au\n","nsites":14,"nelements":3,"elements":["Ti","H","Au"],"chemical_system":"Au-H-Ti","density":7.715192206783807,"density_atomic":0.09465714937644833,"volume":147.90219325454717,"volume_molar":6.362055903511469,"formula_full":"Ti6 H6 Au2","formula_reduced":"Ti3H3Au","formula_anonymous":"AB3C3","energy_above_hull":null,"spacegroup":223},{"id":"jvasp-119342","created_at":"2022-09-04T14:38:50.859401Z","updated_at":"2022-09-04T14:38:50.859430Z","structure_string":"Li2 Mn1 Cu3 O8\n1.0\n5.052505 0.018464 2.922239\n1.694369 4.759964 2.922239\n0.026070 0.018464 5.836661\nLi Mn Cu O\n2 1 3 8\ndirect\n0.130664 0.130663 0.130664 Li\n0.869338 0.869334 0.869337 Li\n0.500001 0.499999 0.500000 Mn\n0.500001 -0.000001 0.500000 Cu\n0.000000 0.499999 0.500000 Cu\n0.500001 0.499999 0.000000 Cu\n0.267869 0.267867 0.267868 O\n0.274854 0.274852 0.717063 O\n0.717064 0.274852 0.274853 O\n0.274854 0.717061 0.274854 O\n0.725148 0.282936 0.725147 O\n0.282938 0.725145 0.725147 O\n0.725148 0.725145 0.282938 O\n0.732133 0.732130 0.732132 O\n","nsites":14,"nelements":4,"elements":["Li","Mn","Cu","O"],"chemical_system":"Cu-Li-Mn-O","density":4.6072571598292384,"density_atomic":0.10025408769266306,"volume":139.64517878730413,"volume_molar":6.006878022232225,"formula_full":"Li2 Mn1 Cu3 O8","formula_reduced":"Li2MnCu3O8","formula_anonymous":"AB2C3D8","energy_above_hull":2.0038026136699507,"spacegroup":166},{"id":"jvasp-122103","created_at":"2022-09-04T14:38:55.468359Z","updated_at":"2022-09-04T14:38:55.468382Z","structure_string":"Rb3 Ho1 V2 O8\n1.0\n6.003630 0.000000 0.000000\n-3.001815 5.199296 0.000000\n-0.000000 -0.000000 7.818062\nRb Ho V O\n3 1 2 8\ndirect\n0.333333 0.666667 0.693014 Rb\n0.666667 0.333334 0.306986 Rb\n0.000000 0.000000 0.000000 Rb\n0.000000 0.000000 0.500000 Ho\n0.333333 0.666667 0.252978 V\n0.666667 0.333334 0.747022 V\n0.333333 0.666667 0.039100 O\n0.666667 0.333334 0.960900 O\n0.174706 0.825294 0.329927 O\n0.825293 0.174707 0.670072 O\n0.174707 0.349414 0.329927 O\n0.825293 0.650587 0.670072 O\n0.650586 0.825294 0.329927 O\n0.349414 0.174707 0.670072 O\n","nsites":14,"nelements":4,"elements":["Rb","Ho","V","O"],"chemical_system":"Ho-O-Rb-V","density":4.431123625238909,"density_atomic":0.0573680996003892,"volume":244.03806466521021,"volume_molar":10.497368401513418,"formula_full":"Rb3 Ho1 V2 O8","formula_reduced":"Rb3HoV2O8","formula_anonymous":"AB2C3D8","energy_above_hull":null,"spacegroup":164},{"id":"jvasp-119410","created_at":"2022-09-04T14:38:50.835470Z","updated_at":"2022-09-04T14:38:50.835505Z","structure_string":"La4 H10\n1.0\n5.097551 -0.009250 -4.645973\n-1.000239 4.998463 -4.645973\n0.007596 0.009250 6.897103\nLa H\n4 10\ndirect\n0.504575 0.004574 0.500000 La\n0.245426 0.245426 -0.000000 La\n0.995426 0.495425 0.500000 La\n0.754574 0.754574 -0.000000 La\n0.605224 0.625000 0.480224 H\n0.144776 0.125000 0.519776 H\n0.605225 0.125000 0.980225 H\n0.144775 0.625000 0.019775 H\n0.375000 0.394775 0.519776 H\n0.875000 0.855224 0.480224 H\n0.875000 0.394775 0.019776 H\n0.375000 0.855224 0.980224 H\n0.750000 0.250000 0.500000 H\n0.000000 0.000000 0.000000 H\n","nsites":14,"nelements":2,"elements":["La","H"],"chemical_system":"H-La","density":5.333911802111097,"density_atomic":0.07949459608571921,"volume":176.11259996722,"volume_molar":7.5755347615155015,"formula_full":"La4 H10","formula_reduced":"La2H5","formula_anonymous":"A2B5","energy_above_hull":2.611008571428572,"spacegroup":141},{"id":"jvasp-122123","created_at":"2022-09-04T14:38:54.787606Z","updated_at":"2022-09-04T14:38:54.787633Z","structure_string":"K2 Rb1 Y1 V2 O8\n1.0\n5.954374 0.000000 0.000000\n-2.977187 5.156639 0.000000\n-0.000000 -0.000000 7.623678\nK Rb Y V O\n2 1 1 2 8\ndirect\n0.333333 0.666667 0.684586 K\n0.666666 0.333333 0.315414 K\n0.000000 0.000000 0.000000 Rb\n0.000000 0.000000 0.500000 Y\n0.333333 0.666667 0.242095 V\n0.666666 0.333333 0.757905 V\n0.333333 0.666667 0.022618 O\n0.666666 0.333333 0.977382 O\n0.174664 0.825336 0.324117 O\n0.825335 0.174665 0.675883 O\n0.174664 0.349329 0.324117 O\n0.825335 0.650671 0.675883 O\n0.650670 0.825336 0.324117 O\n0.349329 0.174665 0.675883 O\n","nsites":14,"nelements":5,"elements":["K","Rb","Y","V","O"],"chemical_system":"K-O-Rb-V-Y","density":3.422414676266744,"density_atomic":0.05980818903525731,"volume":234.08165714141438,"volume_molar":10.069090633140403,"formula_full":"K2 Rb1 Y1 V2 O8","formula_reduced":"K2RbYV2O8","formula_anonymous":"ABC2D2E8","energy_above_hull":null,"spacegroup":164},{"id":"jvasp-122137","created_at":"2022-09-04T14:38:55.498597Z","updated_at":"2022-09-04T14:38:55.498624Z","structure_string":"Ba3 Cd1 Si2 O8\n1.0\n5.774166 -0.000000 0.000000\n-2.887083 5.000575 0.000000\n-0.000000 -0.000000 7.444768\nBa Cd Si O\n3 1 2 8\ndirect\n0.333334 0.666667 0.667715 Ba\n0.666667 0.333334 0.332285 Ba\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Cd\n0.333334 0.666667 0.221006 Si\n0.666667 0.333334 0.778994 Si\n0.333334 0.666667 0.004327 O\n0.666667 0.333334 0.995673 O\n0.179183 0.820818 0.304832 O\n0.820818 0.179183 0.695169 O\n0.179183 0.358365 0.304832 O\n0.820819 0.641636 0.695169 O\n0.641636 0.820818 0.304832 O\n0.358365 0.179183 0.695169 O\n","nsites":14,"nelements":4,"elements":["Ba","Cd","Si","O"],"chemical_system":"Ba-Cd-O-Si","density":5.473488966127321,"density_atomic":0.0651279872552505,"volume":214.96134903004153,"volume_molar":9.246625012988568,"formula_full":"Ba3 Cd1 Si2 O8","formula_reduced":"Ba3Cd(SiO4)2","formula_anonymous":"AB2C3D8","energy_above_hull":null,"spacegroup":164},{"id":"jvasp-9908","created_at":"2022-09-04T14:38:29.554751Z","updated_at":"2022-09-04T14:38:29.554766Z","structure_string":"Mg2 Cu4 O8\n1.0\n5.417683 0.003648 0.002254\n-0.003630 5.417613 -0.004903\n-2.708999 -2.706343 4.710099\nMg Cu O\n2 4 8\ndirect\n0.124965 0.374977 0.249947 Mg\n0.874985 0.624971 0.749954 Mg\n0.499997 0.000004 0.500008 Cu\n0.000006 0.000007 0.500013 Cu\n0.500011 0.000004 0.000010 Cu\n0.500001 0.500008 0.000011 Cu\n0.277486 0.986036 0.154026 O\n0.513958 0.623464 0.345986 O\n0.832018 0.222537 0.346000 O\n0.123463 0.332018 0.845992 O\n0.167994 0.777476 0.654017 O\n0.486043 0.376542 0.654032 O\n0.876535 0.667989 0.154016 O\n0.722534 0.013968 0.845990 O\n","nsites":14,"nelements":3,"elements":["Mg","Cu","O"],"chemical_system":"Cu-Mg-O","density":5.175875406371602,"density_atomic":0.10129731750431317,"volume":138.20701618681946,"volume_molar":5.94501503926161,"formula_full":"Mg2 Cu4 O8","formula_reduced":"Mg(CuO2)2","formula_anonymous":"AB2C4","energy_above_hull":1.1100934214285714,"spacegroup":88},{"id":"jvasp-53487","created_at":"2022-09-04T14:38:11.960839Z","updated_at":"2022-09-04T14:38:11.960853Z","structure_string":"Yb2 Y4 S8\n1.0\n6.793250 0.000000 -2.411191\n-3.392188 5.890815 -2.398640\n-0.008875 0.000000 7.208468\nYb Y S\n2 4 8\ndirect\n0.124999 0.749999 0.875000 Yb\n0.374999 0.250000 0.625000 Yb\n0.249999 0.628294 0.378294 Y\n0.621705 0.371705 0.250000 Y\n0.749999 0.871705 0.121705 Y\n0.878294 0.128295 0.750000 Y\n0.504072 0.999462 0.860183 S\n0.139816 0.143891 0.139280 S\n0.360183 0.499463 0.004073 S\n0.639279 0.643890 0.639816 S\n0.504610 0.000537 0.360720 S\n0.995926 0.856108 0.495389 S\n0.860720 0.500537 0.004610 S\n0.995389 0.356109 0.495927 S\n","nsites":14,"nelements":3,"elements":["Yb","Y","S"],"chemical_system":"S-Y-Yb","density":5.518356335187951,"density_atomic":0.048553652599334925,"volume":288.34081990757926,"volume_molar":12.40306431669466,"formula_full":"Yb2 Y4 S8","formula_reduced":"Yb(YS2)2","formula_anonymous":"AB2C4","energy_above_hull":1.7230759428571427,"spacegroup":122},{"id":"jvasp-10130","created_at":"2022-09-04T14:38:12.485468Z","updated_at":"2022-09-04T14:38:12.485497Z","structure_string":"Hg4 S2 O8\n1.0\n0.000000 6.342576 0.000084\n4.452973 0.000000 0.000000\n0.000000 -0.419383 -8.509224\nHg S O\n4 2 8\ndirect\n0.190224 0.066969 0.469952 Hg\n0.809777 0.066969 0.030049 Hg\n0.809777 0.933030 0.530049 Hg\n0.190224 0.933030 0.969951 Hg\n0.500000 0.440339 0.250000 S\n0.500001 0.559661 0.750000 S\n0.503479 0.762762 0.606555 O\n0.496522 0.762762 0.893445 O\n0.496522 0.237237 0.393445 O\n0.503479 0.237237 0.106555 O\n0.695839 0.385251 0.761806 O\n0.304162 0.385251 0.738193 O\n0.695839 0.614749 0.261807 O\n0.304162 0.614749 0.238194 O\n","nsites":14,"nelements":3,"elements":["Hg","S","O"],"chemical_system":"Hg-O-S","density":6.871349000185345,"density_atomic":0.058253580109892185,"volume":240.32857677742325,"volume_molar":10.337803700029356,"formula_full":"Hg4 S2 O8","formula_reduced":"Hg2SO4","formula_anonymous":"AB2C4","energy_above_hull":1.2030175999999997,"spacegroup":13},{"id":"jvasp-11095","created_at":"2022-09-04T14:38:11.953392Z","updated_at":"2022-09-04T14:38:11.953412Z","structure_string":"Ca2 Mn4 S8\n1.0\n6.515463 -0.000125 3.761933\n2.171710 6.142686 3.761922\n-0.000129 -0.000105 7.524090\nCa Mn S\n2 4 8\ndirect\n0.874986 0.874969 0.875011 Ca\n0.125023 0.125032 0.124975 Ca\n0.500004 0.500005 0.499994 Mn\n0.500001 0.499978 0.000022 Mn\n-0.000006 0.500005 0.499996 Mn\n0.499988 0.000004 0.500006 Mn\n0.731923 0.731911 0.731917 S\n0.268066 0.268086 0.695789 S\n0.268070 0.695785 0.268082 S\n0.695797 0.268076 0.268077 S\n0.731926 0.304219 0.731918 S\n0.304216 0.731920 0.731926 S\n0.268072 0.268078 0.268084 S\n0.731931 0.731930 0.304202 S\n","nsites":14,"nelements":3,"elements":["Ca","Mn","S"],"chemical_system":"Ca-Mn-S","density":3.068251210133533,"density_atomic":0.0464901273569391,"volume":301.1392051587995,"volume_molar":12.953590584434348,"formula_full":"Ca2 Mn4 S8","formula_reduced":"Ca(MnS2)2","formula_anonymous":"AB2C4","energy_above_hull":2.4157292718226597,"spacegroup":227},{"id":"jvasp-35176","created_at":"2022-09-04T14:38:06.184609Z","updated_at":"2022-09-04T14:38:06.184625Z","structure_string":"Mg4 Si2 O8\n1.0\n2.789760 -0.000000 -0.000000\n-1.394880 4.725107 0.000000\n0.000000 0.000000 9.434973\nMg Si O\n4 2 8\ndirect\n0.138539 0.277078 0.853658 Mg\n0.861461 0.722923 0.353658 Mg\n0.609285 0.218569 0.185059 Mg\n0.390715 0.781431 0.685059 Mg\n0.126993 0.253986 0.499298 Si\n0.873007 0.746015 0.999298 Si\n0.494197 0.988395 0.937628 O\n0.505803 0.011605 0.437628 O\n0.251724 0.503447 0.045871 O\n0.748276 0.496554 0.545870 O\n0.794212 0.588424 0.826396 O\n0.205788 0.411576 0.326396 O\n0.044672 0.089343 0.662889 O\n0.955328 0.910658 0.162890 O\n","nsites":14,"nelements":3,"elements":["Mg","Si","O"],"chemical_system":"Mg-O-Si","density":3.756926855645451,"density_atomic":0.11256642756665262,"volume":124.37100743656758,"volume_molar":5.349855094614405,"formula_full":"Mg4 Si2 O8","formula_reduced":"Mg2SiO4","formula_anonymous":"AB2C4","energy_above_hull":1.396152957142857,"spacegroup":36},{"id":"jvasp-10051","created_at":"2022-09-04T14:38:11.993013Z","updated_at":"2022-09-04T14:38:11.993024Z","structure_string":"Mg2 Mn4 O8\n1.0\n5.960968 -0.008541 -0.037031\n2.973087 5.166621 -0.037031\n2.947782 1.701904 4.813709\nMg Mn O\n2 4 8\ndirect\n0.125000 0.624999 0.625000 Mg\n0.625000 0.125000 0.625000 Mg\n0.991373 0.991372 0.008628 Mn\n0.258628 0.258627 0.241373 Mn\n0.625000 0.625000 0.125000 Mn\n0.625000 0.624999 0.625000 Mn\n0.397874 0.397873 0.366507 O\n0.399973 0.844055 0.377986 O\n0.397874 0.397873 0.837747 O\n0.844056 0.399972 0.377986 O\n0.405945 0.850027 0.872014 O\n0.850028 0.405944 0.872014 O\n0.852127 0.852126 0.412254 O\n0.852127 0.852126 0.883494 O\n","nsites":14,"nelements":3,"elements":["Mg","Mn","O"],"chemical_system":"Mg-Mn-O","density":4.4134252942526695,"density_atomic":0.09387885173447867,"volume":149.12836854456594,"volume_molar":6.414800190603803,"formula_full":"Mg2 Mn4 O8","formula_reduced":"MgMn2O4","formula_anonymous":"AB2C4","energy_above_hull":2.510508218965517,"spacegroup":74}]}