{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-formula_anonymous&page=4565","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-formula_anonymous&page=4563","results":[{"id":"jvasp-17494","created_at":"2022-09-04T14:38:32.774317Z","updated_at":"2022-09-04T14:38:32.774344Z","structure_string":"Ni3 Pb2 Se2\n1.0\n4.963026 -0.016815 3.032159\n1.692534 4.665537 3.032159\n-0.024074 -0.016815 5.815929\nNi Pb Se\n3 2 2\ndirect\n0.500000 0.500000 0.000000 Ni\n0.000000 0.500000 0.500000 Ni\n0.500001 -0.000001 0.500000 Ni\n0.500001 0.499999 0.500000 Pb\n0.000000 0.000000 0.000000 Pb\n0.779183 0.779181 0.779182 Se\n0.220818 0.220818 0.220818 Se\n","nsites":7,"nelements":3,"elements":["Ni","Pb","Se"],"chemical_system":"Ni-Pb-Se","density":9.182212493997573,"density_atomic":0.05172046092763651,"volume":135.34295469241638,"volume_molar":11.643633200457629,"formula_full":"Ni3 Pb2 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Se\n0.222060 0.085296 0.330528 Se\n0.722060 0.414703 0.919472 Se\n0.277939 0.585296 0.419472 Se\n0.914703 0.777939 0.169472 Se\n0.085296 0.222060 0.669472 Se\n0.718155 0.281844 0.250000 Se\n0.281844 0.718155 0.750000 Se\n0.218155 0.218155 0.000000 Se\n","nsites":28,"nelements":3,"elements":["Na","Zn","Se"],"chemical_system":"Na-Se-Zn","density":4.2194276573730995,"density_atomic":0.04299723684200821,"volume":651.2046367743347,"volume_molar":14.005878522213273,"formula_full":"Na8 Zn8 Se12","formula_reduced":"Na2Zn2Se3","formula_anonymous":"A2B2C3","energy_above_hull":0.1761819095238096,"spacegroup":96},{"id":"jvasp-14125","created_at":"2022-09-04T14:38:06.324547Z","updated_at":"2022-09-04T14:38:06.324566Z","structure_string":"Tl4 Sn4 S6\n1.0\n6.926577 -0.076438 -1.786424\n-0.937059 6.991191 -3.932442\n-0.052392 -0.024884 8.260666\nTl Sn S\n4 4 6\ndirect\n0.507117 0.225874 0.239423 Tl\n0.992884 0.986451 0.760578 Tl\n0.492884 0.774126 0.760578 Tl\n0.007116 0.013549 0.239423 Tl\n0.467593 0.748593 0.240268 Sn\n0.032407 0.508327 0.759734 Sn\n0.532408 0.251407 0.759734 Sn\n0.967593 0.491674 0.240268 Sn\n0.695100 0.637628 0.453249 S\n0.804901 0.184381 0.546752 S\n0.304900 0.362372 0.546752 S\n0.195100 0.815619 0.453249 S\n0.750000 0.589695 0.000000 S\n0.250000 0.410305 0.000000 S\n","nsites":14,"nelements":3,"elements":["Tl","Sn","S"],"chemical_system":"S-Sn-Tl","density":6.194092755874457,"density_atomic":0.03517219301836694,"volume":398.041714165767,"volume_molar":17.121880221842392,"formula_full":"Tl4 Sn4 S6","formula_reduced":"Tl2Sn2S3","formula_anonymous":"A2B2C3","energy_above_hull":0.7836355142857144,"spacegroup":15},{"id":"jvasp-43060","created_at":"2022-09-04T14:38:07.689655Z","updated_at":"2022-09-04T14:38:07.689683Z","structure_string":"Na4 Co4 O6\n1.0\n0.000000 5.724506 0.007727\n5.587556 0.000000 0.000000\n0.000000 -2.837232 -5.384052\nNa Co O\n4 4 6\ndirect\n0.140885 0.346882 0.892862 Na\n0.140885 0.153119 0.392862 Na\n0.859116 0.846882 0.607137 Na\n0.859116 0.653119 0.107137 Na\n0.345199 0.628736 0.591824 Co\n0.654801 0.128735 0.908174 Co\n0.345199 0.871265 0.091825 Co\n0.654801 0.371265 0.408174 Co\n0.000000 0.500000 0.500000 O\n0.000000 0.000000 0.000000 O\n0.339766 0.925994 0.754508 O\n0.339766 0.574007 0.254509 O\n0.660234 0.425994 0.745490 O\n0.660234 0.074007 0.245491 O\n","nsites":14,"nelements":3,"elements":["Na","Co","O"],"chemical_system":"Co-Na-O","density":4.088230773893664,"density_atomic":0.08135193998025074,"volume":172.09177806206816,"volume_molar":7.402577936631817,"formula_full":"Na4 Co4 O6","formula_reduced":"Na2Co2O3","formula_anonymous":"A2B2C3","energy_above_hull":1.859448614285714,"spacegroup":14},{"id":"jvasp-34410","created_at":"2022-09-04T14:38:08.547384Z","updated_at":"2022-09-04T14:38:08.547411Z","structure_string":"Na8 Zn8 O12\n1.0\n6.232672 -0.000000 0.000000\n0.000000 6.232672 0.000000\n0.000000 -0.000000 9.415318\nNa Zn O\n8 8 12\ndirect\n0.746394 0.529728 0.644850 Na\n0.970272 0.246394 0.394850 Na\n0.470272 0.253606 0.855150 Na\n0.253606 0.470272 0.144850 Na\n0.029728 0.753605 0.894850 Na\n0.753605 0.029728 0.105150 Na\n0.529728 0.746394 0.355150 Na\n0.246394 0.970272 0.605150 Na\n0.745027 0.541514 0.114840 Zn\n0.958486 0.245027 0.864840 Zn\n0.245027 0.958486 0.135160 Zn\n0.541514 0.745027 0.885160 Zn\n0.458486 0.254973 0.385160 Zn\n0.041514 0.754973 0.364840 Zn\n0.254973 0.458486 0.614840 Zn\n0.754973 0.041514 0.635160 Zn\n0.742624 0.986933 0.844675 O\n0.317921 0.682078 0.750000 O\n0.242624 0.513067 0.405325 O\n0.486933 0.757376 0.094675 O\n0.757376 0.486933 0.905325 O\n0.682078 0.317921 0.250000 O\n0.986933 0.742624 0.155325 O\n0.817921 0.817921 0.500000 O\n0.513067 0.242624 0.594675 O\n0.013067 0.257376 0.655325 O\n0.257376 0.013067 0.344675 O\n0.182079 0.182079 0.000000 O\n","nsites":28,"nelements":3,"elements":["Na","Zn","O"],"chemical_system":"Na-O-Zn","density":4.08238185840092,"density_atomic":0.07655516446770344,"volume":365.7493285356659,"volume_molar":7.866406926133088,"formula_full":"Na8 Zn8 O12","formula_reduced":"Na2Zn2O3","formula_anonymous":"A2B2C3","energy_above_hull":0.2083056142857144,"spacegroup":96},{"id":"jvasp-110295","created_at":"2022-09-04T14:38:18.724457Z","updated_at":"2022-09-04T14:38:18.724471Z","structure_string":"Tb3 Si2 C2\n1.0\n7.545707 0.000098 0.000000\n-6.436862 3.937577 0.000000\n-0.000000 0.000000 4.660467\nTb Si C\n3 2 2\ndirect\n0.360821 0.639181 0.459003 Tb\n0.639181 0.360821 0.459003 Tb\n0.000000 0.000000 0.958995 Tb\n0.200357 0.799645 0.959011 Si\n0.799645 0.200356 0.959011 Si\n0.159167 0.159167 0.458989 C\n0.840835 0.840834 0.458989 C\n","nsites":7,"nelements":3,"elements":["Tb","Si","C"],"chemical_system":"C-Si-Tb","density":6.679009137604898,"density_atomic":0.05055107380771374,"volume":138.47381415925233,"volume_molar":11.912982863444265,"formula_full":"Tb3 Si2 C2","formula_reduced":"Tb3(SiC)2","formula_anonymous":"A2B2C3","energy_above_hull":3.635911771428571,"spacegroup":65},{"id":"jvasp-52533","created_at":"2022-09-04T14:38:07.371115Z","updated_at":"2022-09-04T14:38:07.371140Z","structure_string":"Ba6 Br4 O4\n1.0\n0.000000 7.471254 -0.028817\n8.215894 0.000000 0.000000\n0.000000 -3.224382 -7.065624\nBa Br O\n6 4 4\ndirect\n0.000000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Ba\n0.405759 0.879085 0.769095 Ba\n0.594241 0.379085 0.730905 Ba\n0.405759 0.620915 0.269095 Ba\n0.594241 0.120915 0.230905 Ba\n0.185127 0.346404 0.926190 Br\n0.185127 0.153596 0.426190 Br\n0.814872 0.846404 0.573810 Br\n0.814872 0.653596 0.073810 Br\n0.341341 0.612496 0.567277 O\n0.658659 0.112497 0.932723 O\n0.341341 0.887503 0.067277 O\n0.658659 0.387503 0.432723 O\n","nsites":14,"nelements":3,"elements":["Ba","Br","O"],"chemical_system":"Ba-Br-O","density":4.615309406742133,"density_atomic":0.032222959847103196,"volume":434.47281275306506,"volume_molar":18.688974534229146,"formula_full":"Ba6 Br4 O4","formula_reduced":"Ba3(BrO)2","formula_anonymous":"A2B2C3","energy_above_hull":0.3384889214285713,"spacegroup":14},{"id":"jvasp-46265","created_at":"2022-09-04T14:38:04.469134Z","updated_at":"2022-09-04T14:38:04.469144Z","structure_string":"Li4 Mn4 O6\n1.0\n0.000000 5.043523 0.074767\n4.788805 0.000000 0.000000\n0.000000 -2.345959 -5.113239\nLi Mn O\n4 4 6\ndirect\n0.233021 0.679659 0.092756 Li\n0.733021 0.820340 0.092755 Li\n0.266978 0.179659 0.907244 Li\n0.766978 0.320340 0.907244 Li\n0.762208 0.369987 0.388548 Mn\n0.737791 0.869986 0.611451 Mn\n0.262208 0.130013 0.388548 Mn\n0.237791 0.630012 0.611452 Mn\n0.500000 0.500000 -0.000000 O\n0.000000 0.000000 0.000000 O\n0.563312 0.031763 0.280458 O\n0.936687 0.531763 0.719541 O\n0.063312 0.468236 0.280458 O\n0.436687 0.968236 0.719542 O\n","nsites":14,"nelements":3,"elements":["Li","Mn","O"],"chemical_system":"Li-Mn-O","density":4.650486704281594,"density_atomic":0.11413916708237784,"volume":122.65728196435636,"volume_molar":5.276138694488309,"formula_full":"Li4 Mn4 O6","formula_reduced":"Li2Mn2O3","formula_anonymous":"A2B2C3","energy_above_hull":2.569073568965517,"spacegroup":14},{"id":"jvasp-47291","created_at":"2022-09-04T14:38:07.474974Z","updated_at":"2022-09-04T14:38:07.474987Z","structure_string":"Cr6 O4 F4\n1.0\n0.000000 5.499945 -0.023310\n6.412336 0.000000 0.000000\n0.000000 -2.653695 -5.251576\nCr O F\n6 4 4\ndirect\n0.500000 0.500000 -0.000000 Cr\n0.000000 0.000000 0.000000 Cr\n0.247103 0.877582 0.540360 Cr\n0.252899 0.377581 0.459641 Cr\n0.747103 0.622419 0.540360 Cr\n0.752899 0.122419 0.459641 Cr\n0.474190 0.622262 0.678558 O\n0.025812 0.122262 0.321442 O\n0.974190 0.877739 0.678558 O\n0.525812 0.377738 0.321442 O\n0.130691 0.379788 0.757312 F\n0.630691 0.120212 0.757312 F\n0.369311 0.879789 0.242688 F\n0.869311 0.620212 0.242688 F\n","nsites":14,"nelements":3,"elements":["Cr","O","F"],"chemical_system":"Cr-F-O","density":4.04355381228676,"density_atomic":0.07542835875877416,"volume":185.60658392121596,"volume_molar":7.983921245402252,"formula_full":"Cr6 O4 F4","formula_reduced":"Cr3(OF)2","formula_anonymous":"A2B2C3","energy_above_hull":2.8305228235714286,"spacegroup":14},{"id":"jvasp-10205","created_at":"2022-09-04T14:38:12.311692Z","updated_at":"2022-09-04T14:38:12.311717Z","structure_string":"Na4 Zn4 O6\n1.0\n0.000000 5.862666 -0.003267\n5.909937 0.000000 0.000000\n0.000000 -2.840637 -5.277494\nNa Zn O\n4 4 6\ndirect\n0.865687 0.343122 0.099083 Na\n0.865687 0.156879 0.599083 Na\n0.134313 0.656879 0.900916 Na\n0.134313 0.843122 0.400917 Na\n0.341558 0.124005 0.081051 Zn\n0.341557 0.375995 0.581050 Zn\n0.658442 0.875995 0.918949 Zn\n0.658443 0.624006 0.418949 Zn\n-0.000000 0.500000 0.500000 O\n0.646106 0.584663 0.756351 O\n0.353893 0.084662 0.743648 O\n0.353894 0.415338 0.243649 O\n0.000000 0.000000 0.000000 O\n0.646107 0.915338 0.256351 O\n","nsites":14,"nelements":3,"elements":["Na","Zn","O"],"chemical_system":"Na-O-Zn","density":4.081606846796214,"density_atomic":0.07654063100588618,"volume":182.9093883341955,"volume_molar":7.867900591957338,"formula_full":"Na4 Zn4 O6","formula_reduced":"Na2Zn2O3","formula_anonymous":"A2B2C3","energy_above_hull":0.2090013285714287,"spacegroup":14},{"id":"jvasp-94903","created_at":"2022-09-04T14:36:31.868536Z","updated_at":"2022-09-04T14:36:31.868563Z","structure_string":"In2 Ni3 Se2\n1.0\n-4.814592 -0.000000 2.615198\n-3.117561 4.505594 0.000000\n-4.800564 0.009707 -3.098418\nIn Ni Se\n2 3 2\ndirect\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 In\n0.500000 0.000000 0.500000 Ni\n-0.000000 0.500000 0.500000 Ni\n-0.000001 0.000000 0.500000 Ni\n0.716531 0.716531 0.850406 Se\n0.283469 0.283469 0.149593 Se\n","nsites":7,"nelements":3,"elements":["In","Ni","Se"],"chemical_system":"In-Ni-Se","density":7.5662854016316015,"density_atomic":0.05658909951896899,"volume":123.69873455317239,"volume_molar":10.641874161615425,"formula_full":"In2 Ni3 Se2","formula_reduced":"In2Ni3Se2","formula_anonymous":"A2B2C3","energy_above_hull":0.7552876961904762,"spacegroup":166},{"id":"jvasp-100872","created_at":"2022-09-04T14:36:36.595119Z","updated_at":"2022-09-04T14:36:36.595134Z","structure_string":"Ho2 Mo2 C3\n1.0\n5.624278 -0.002604 1.751734\n4.611350 3.219932 1.751734\n-0.015027 -0.004723 5.670912\nHo Mo C\n2 2 3\ndirect\n0.386294 0.386296 0.821067 Ho\n0.613705 0.613706 0.178931 Ho\n0.149538 0.149540 0.627906 Mo\n0.850460 0.850462 0.372093 Mo\n-0.000001 0.000001 0.500000 C\n0.729264 0.729266 0.742983 C\n0.270735 0.270736 0.257016 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