{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-id&page=536","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-id&page=534","results":[{"id":"jvasp-86452","created_at":"2022-09-04T14:36:21.816018Z","updated_at":"2022-09-04T14:36:21.816043Z","structure_string":"Cu4 S2 O10\n1.0\n5.380156 0.025476 -1.789304\n-2.544413 4.965547 -1.008787\n-0.007170 -0.012812 7.257181\nCu S O\n4 2 10\ndirect\n0.143920 0.078652 0.222572 Cu\n0.856082 0.921350 0.777429 Cu\n0.500001 0.000000 0.000000 Cu\n0.000000 0.500000 -0.000000 Cu\n0.722067 0.591430 0.313495 S\n0.277935 0.408572 0.686506 S\n0.420288 0.711908 0.749094 O\n0.962815 0.671196 0.250908 O\n0.579714 0.288094 0.250907 O\n0.037187 0.328806 0.749093 O\n0.868546 0.148879 0.017423 O\n0.131456 0.851123 0.982578 O\n0.472891 0.309949 0.782839 O\n0.527111 0.690053 0.217162 O\n0.844554 0.695548 0.540100 O\n0.155448 0.304454 0.459901 O\n","nsites":16,"nelements":3,"elements":["Cu","S","O"],"chemical_system":"Cu-O-S","density":4.090743262250636,"density_atomic":0.082407258074072,"volume":194.15765521064122,"volume_molar":7.307779558187681,"formula_full":"Cu4 S2 O10","formula_reduced":"Cu2SO5","formula_anonymous":"AB2C5","energy_above_hull":1.7836198,"spacegroup":12},{"id":"jvasp-86451","created_at":"2022-09-04T14:36:13.573069Z","updated_at":"2022-09-04T14:36:13.573097Z","structure_string":"La2 P2 Pd2\n1.0\n4.292607 0.000000 0.000000\n-2.146303 3.717506 0.000000\n0.000000 -0.000000 8.004847\nLa P Pd\n2 2 2\ndirect\n0.000000 0.000000 0.500000 La\n0.000000 0.000000 0.000000 La\n0.666668 0.333333 0.750000 P\n0.333334 0.666668 0.250000 P\n0.333334 0.666668 0.750000 Pd\n0.666668 0.333333 0.250000 Pd\n","nsites":6,"nelements":3,"elements":["La","P","Pd"],"chemical_system":"La-P-Pd","density":7.183447594902083,"density_atomic":0.04697052423243808,"volume":127.73968564430817,"volume_molar":12.821106126469585,"formula_full":"La2 P2 Pd2","formula_reduced":"LaPPd","formula_anonymous":"ABC","energy_above_hull":1.4828220666666665,"spacegroup":194},{"id":"jvasp-86450","created_at":"2022-09-04T14:36:07.656204Z","updated_at":"2022-09-04T14:36:07.656224Z","structure_string":"Yb2 Si2 O7\n1.0\n4.828564 0.037557 -0.593424\n-0.899695 5.418894 -1.468709\n0.021651 0.013339 5.685976\nYb Si O\n2 2 7\ndirect\n0.000000 0.299610 0.700390 Yb\n0.000000 0.689429 0.310570 Yb\n0.415433 0.214008 0.224973 Si\n0.584567 0.775028 0.785993 Si\n0.227574 0.380907 0.096977 O\n0.772426 0.903023 0.619093 O\n0.227592 0.086014 0.391881 O\n0.772408 0.608119 0.913987 O\n0.500000 0.994518 0.005481 O\n0.285561 0.620480 0.631439 O\n0.714439 0.368562 0.379521 O\n","nsites":11,"nelements":3,"elements":["Yb","Si","O"],"chemical_system":"O-Si-Yb","density":5.7257289808288725,"density_atomic":0.0737569207565057,"volume":149.13854709735492,"volume_molar":8.164848394201462,"formula_full":"Yb2 Si2 O7","formula_reduced":"Yb2Si2O7","formula_anonymous":"A2B2C7","energy_above_hull":2.1143802818181814,"spacegroup":12},{"id":"jvasp-8645","created_at":"2022-09-04T14:36:48.499924Z","updated_at":"2022-09-04T14:36:48.499939Z","structure_string":"Ni1 O2\n1.0\n2.635634 -0.043881 3.867599\n1.160162 2.366963 3.867599\n-0.071699 -0.043881 4.679716\nNi O\n1 2\ndirect\n0.500001 0.499999 0.500002 Ni\n0.761827 0.761826 0.761830 O\n0.238173 0.238171 0.238173 O\n","nsites":3,"nelements":2,"elements":["Ni","O"],"chemical_system":"Ni-O","density":4.961820465367891,"density_atomic":0.09884239640879913,"volume":30.351348297874072,"volume_molar":6.092669723519468,"formula_full":"Ni1 O2","formula_reduced":"NiO2","formula_anonymous":"AB2","energy_above_hull":1.4599798000000004,"spacegroup":166},{"id":"jvasp-86448","created_at":"2022-09-04T14:35:58.409456Z","updated_at":"2022-09-04T14:35:58.409484Z","structure_string":"Eu2 Ta2 O8\n1.0\n4.806079 0.007092 -1.775103\n-1.316713 4.858702 -2.035508\n-0.012493 0.005397 6.604940\nEu Ta O\n2 2 8\ndirect\n0.381359 0.631358 0.262715 Eu\n0.618643 0.368642 0.737285 Eu\n0.850764 0.100764 0.201530 Ta\n0.149237 0.899236 0.798471 Ta\n-0.000759 0.790626 0.062534 O\n0.563294 0.271908 0.062534 O\n0.000760 0.209374 0.937466 O\n0.436708 0.728092 0.937466 O\n0.203709 0.363540 0.418132 O\n0.714424 0.054592 0.418133 O\n0.796293 0.636460 0.581868 O\n0.285577 0.945407 0.581868 O\n","nsites":12,"nelements":3,"elements":["Eu","Ta","O"],"chemical_system":"Eu-O-Ta","density":8.545462109356277,"density_atomic":0.07779402351323156,"volume":154.2534947811124,"volume_molar":7.741135485781536,"formula_full":"Eu2 Ta2 O8","formula_reduced":"EuTaO4","formula_anonymous":"ABC4","energy_above_hull":2.7224172,"spacegroup":15},{"id":"jvasp-86447","created_at":"2022-09-04T14:35:51.788168Z","updated_at":"2022-09-04T14:35:51.788179Z","structure_string":"V2 Cr4 C4\n1.0\n2.847629 -0.000000 0.000000\n-1.423815 4.592533 -0.000000\n0.000000 -0.000000 7.101161\nV Cr C\n2 4 4\ndirect\n0.404364 0.808725 0.750000 V\n0.595638 0.191274 0.250000 V\n0.140546 0.281092 0.573513 Cr\n0.859456 0.718907 0.426487 Cr\n0.859456 0.718907 0.073513 Cr\n0.140546 0.281092 0.926487 Cr\n0.249553 0.499104 0.250000 C\n0.750449 0.500895 0.750000 C\n0.500000 0.000000 0.500000 C\n0.500000 0.000000 0.000000 C\n","nsites":10,"nelements":3,"elements":["V","Cr","C"],"chemical_system":"C-Cr-V","density":6.399677969207228,"density_atomic":0.10767997548702271,"volume":92.8677774560338,"volume_molar":5.592628279085903,"formula_full":"V2 Cr4 C4","formula_reduced":"V(CrC)2","formula_anonymous":"AB2C2","energy_above_hull":5.491863800000001,"spacegroup":63},{"id":"jvasp-86445","created_at":"2022-09-04T14:37:40.610162Z","updated_at":"2022-09-04T14:37:40.610181Z","structure_string":"Ca4 Ru2 O8\n1.0\n5.282862 0.000000 0.000000\n-0.000000 4.868239 -2.051236\n0.000000 0.008351 6.822381\nCa Ru O\n4 2 8\ndirect\n0.000000 0.346402 0.692803 Ca\n0.500000 0.153598 0.307196 Ca\n0.500000 0.846402 0.692803 Ca\n0.000000 0.653598 0.307196 Ca\n0.000000 0.000000 0.000000 Ru\n0.500000 0.500000 -0.000000 Ru\n0.500000 0.665815 0.331631 O\n0.000000 0.834185 0.668368 O\n0.500000 0.334185 0.668368 O\n0.000000 0.165815 0.331631 O\n0.682693 0.182686 -0.000000 O\n0.182693 0.317314 -0.000000 O\n0.317306 0.817314 -0.000000 O\n0.817306 0.682686 -0.000000 O\n","nsites":14,"nelements":3,"elements":["Ca","Ru","O"],"chemical_system":"Ca-O-Ru","density":4.639170105207659,"density_atomic":0.0797493176633874,"volume":175.55009133861648,"volume_molar":7.551338289085752,"formula_full":"Ca4 Ru2 O8","formula_reduced":"Ca2RuO4","formula_anonymous":"AB2C4","energy_above_hull":1.8224764771428568,"spacegroup":64},{"id":"jvasp-86443","created_at":"2022-09-04T14:35:54.258057Z","updated_at":"2022-09-04T14:35:54.258074Z","structure_string":"Cu3 P2 O8\n1.0\n4.861739 0.010026 0.271945\n1.859099 4.804860 1.632725\n0.009538 0.012101 6.240045\nCu P O\n3 2 8\ndirect\n0.727231 0.778555 0.681266 Cu\n0.272770 0.221445 0.318735 Cu\n0.000000 0.000000 0.000000 Cu\n0.640034 0.654068 0.220741 P\n0.359967 0.345933 0.779260 P\n0.623414 0.855680 0.361127 O\n0.376587 0.144321 0.638873 O\n0.772269 0.777021 0.993239 O\n0.227732 0.222979 0.006762 O\n0.668784 0.342106 0.832030 O\n0.841661 0.357686 0.343362 O\n0.158340 0.642315 0.656638 O\n0.331217 0.657895 0.167971 O\n","nsites":13,"nelements":3,"elements":["Cu","P","O"],"chemical_system":"Cu-O-P","density":4.341976125679407,"density_atomic":0.08931715847691786,"volume":145.54874138052182,"volume_molar":6.742423138725686,"formula_full":"Cu3 P2 O8","formula_reduced":"Cu3(PO4)2","formula_anonymous":"A2B3C8","energy_above_hull":2.146436180769231,"spacegroup":2},{"id":"jvasp-8644","created_at":"2022-09-04T14:37:07.861537Z","updated_at":"2022-09-04T14:37:07.861554Z","structure_string":"Li1 Ni1 O2\n1.0\n2.823704 -0.002662 0.001970\n-1.409399 2.634696 0.022789\n-0.007486 -0.278027 4.956092\nLi Ni O\n1 1 2\ndirect\n0.663314 0.327645 0.596956 Li\n0.995110 0.989881 0.029435 Ni\n0.350010 0.700280 0.801560 O\n0.658260 0.315699 0.221248 O\n","nsites":4,"nelements":3,"elements":["Li","Ni","O"],"chemical_system":"Li-Ni-O","density":4.3969984382172775,"density_atomic":0.10848499701165301,"volume":36.8714578991078,"volume_molar":5.551127737371027,"formula_full":"Li1 Ni1 O2","formula_reduced":"LiNiO2","formula_anonymous":"ABC2","energy_above_hull":1.28281985,"spacegroup":8},{"id":"jvasp-86436","created_at":"2022-09-04T14:35:41.216418Z","updated_at":"2022-09-04T14:35:41.216451Z","structure_string":"Li1 Sb1 F6\n1.0\n4.509030 0.056403 3.028820\n1.643489 4.199223 3.028820\n0.081545 0.056403 5.431247\nLi Sb F\n1 1 6\ndirect\n0.500000 0.499999 0.500001 Li\n0.000000 0.000000 0.000000 Sb\n0.623259 0.891282 0.243011 F\n0.891283 0.243009 0.623259 F\n0.756990 0.376741 0.108717 F\n0.243010 0.623257 0.891285 F\n0.108717 0.756989 0.376742 F\n0.376741 0.108716 0.756991 F\n","nsites":8,"nelements":3,"elements":["Li","Sb","F"],"chemical_system":"F-Li-Sb","density":3.9971566651595967,"density_atomic":0.07934830218564845,"volume":100.82131286543068,"volume_molar":7.5895017210452815,"formula_full":"Li1 Sb1 F6","formula_reduced":"LiSbF6","formula_anonymous":"ABC6","energy_above_hull":0.0,"spacegroup":148},{"id":"jvasp-86435","created_at":"2022-09-04T14:35:54.456358Z","updated_at":"2022-09-04T14:35:54.456387Z","structure_string":"Ca1 U1 O4\n1.0\n3.724929 0.022172 5.125792\n1.681806 3.323721 5.125792\n0.035829 0.022172 6.336210\nCa U O\n1 1 4\ndirect\n0.500001 0.499999 0.499999 Ca\n0.000000 0.000000 0.000000 U\n0.637264 0.637262 0.637262 O\n0.362738 0.362737 0.362737 O\n0.112097 0.112096 0.112096 O\n0.887906 0.887902 0.887902 O\n","nsites":6,"nelements":3,"elements":["Ca","U","O"],"chemical_system":"Ca-O-U","density":7.342217756865052,"density_atomic":0.07754800222486316,"volume":77.3714322465976,"volume_molar":7.765694263196897,"formula_full":"Ca1 U1 O4","formula_reduced":"CaUO4","formula_anonymous":"ABC4","energy_above_hull":2.2229450700000006,"spacegroup":166},{"id":"jvasp-86434","created_at":"2022-09-04T14:35:46.919049Z","updated_at":"2022-09-04T14:35:46.919074Z","structure_string":"Li2 Nb2 O4\n1.0\n2.934338 -0.000000 0.000000\n-1.467169 2.541211 0.000000\n-0.000000 0.000000 10.498794\nLi Nb O\n2 2 4\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.333333 0.666667 0.750000 Nb\n0.666667 0.333333 0.250000 Nb\n0.333333 0.666667 0.121812 O\n0.333333 0.666667 0.378188 O\n0.666667 0.333333 0.621812 O\n0.666667 0.333333 0.878188 O\n","nsites":8,"nelements":3,"elements":["Li","Nb","O"],"chemical_system":"Li-Nb-O","density":5.59314870131185,"density_atomic":0.10218795503229956,"volume":78.287113167803,"volume_molar":5.893200189881989,"formula_full":"Li2 Nb2 O4","formula_reduced":"LiNbO2","formula_anonymous":"ABC2","energy_above_hull":2.1098266,"spacegroup":194}]}