{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=formula_reduced&page=4568","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=formula_reduced&page=4566","results":[{"id":"jvasp-59631","created_at":"2022-09-04T14:37:34.105923Z","updated_at":"2022-09-04T14:37:34.105952Z","structure_string":"Zr4 Ni4 Sn2\n1.0\n7.121265 0.000000 0.000000\n0.000000 7.121265 0.000000\n0.000000 -0.000000 3.421890\nZr Ni Sn\n4 4 2\ndirect\n0.830352 0.669649 0.500000 Zr\n0.330352 0.830352 0.500000 Zr\n0.669649 0.169649 0.500000 Zr\n0.169649 0.330352 0.500000 Zr\n0.124557 0.624557 0.000000 Ni\n0.624557 0.875444 0.000000 Ni\n0.875444 0.375444 0.000000 Ni\n0.375444 0.124557 0.000000 Ni\n0.500000 0.500000 0.000000 Sn\n0.000000 0.000000 0.000000 Sn\n","nsites":10,"nelements":3,"elements":["Zr","Ni","Sn"],"chemical_system":"Ni-Sn-Zr","density":8.010151028846588,"density_atomic":0.05762615736862946,"volume":173.53230644949792,"volume_molar":10.450359758463323,"formula_full":"Zr4 Ni4 Sn2","formula_reduced":"Zr2Ni2Sn","formula_anonymous":"AB2C2","energy_above_hull":2.2479651,"spacegroup":127},{"id":"jvasp-22353","created_at":"2022-09-04T14:37:41.988277Z","updated_at":"2022-09-04T14:37:41.988287Z","structure_string":"Zr4 Ni2 As4\n1.0\n1.972924 -3.417203 -0.000000\n1.972924 3.417203 -0.000000\n0.000000 0.000000 13.194864\nZr Ni As\n4 2 4\ndirect\n0.666666 0.333332 0.611679 Zr\n0.333332 0.666666 0.111679 Zr\n0.333332 0.666666 0.388321 Zr\n0.666666 0.333332 0.888321 Zr\n0.000000 0.000000 0.250000 Ni\n0.000000 0.000000 0.750000 Ni\n0.333332 0.666666 0.750000 As\n0.000000 0.000000 0.000000 As\n0.000000 0.000000 0.500000 As\n0.666666 0.333332 0.250000 As\n","nsites":10,"nelements":3,"elements":["Zr","Ni","As"],"chemical_system":"As-Ni-Zr","density":7.2983165512025785,"density_atomic":0.05620616463866911,"volume":177.91642721553234,"volume_molar":10.714377682082306,"formula_full":"Zr4 Ni2 As4","formula_reduced":"Zr2NiAs2","formula_anonymous":"AB2C2","energy_above_hull":2.84173698,"spacegroup":194},{"id":"jvasp-8681","created_at":"2022-09-04T14:37:04.329935Z","updated_at":"2022-09-04T14:37:04.329959Z","structure_string":"Zr4 Ni2 P2\n1.0\n0.000000 5.269727 0.009035\n3.660409 0.000000 0.000000\n0.000000 -2.608975 -7.008319\nZr Ni P\n4 2 2\ndirect\n0.715690 0.250000 0.923785 Zr\n0.284310 0.750000 0.076216 Zr\n0.221103 0.250000 0.431066 Zr\n0.778897 0.750000 0.568935 Zr\n0.645647 0.250000 0.291389 Ni\n0.354353 0.750000 0.708612 Ni\n0.139815 0.250000 0.790162 P\n0.860185 0.750000 0.209839 P\n","nsites":8,"nelements":3,"elements":["Zr","Ni","P"],"chemical_system":"Ni-P-Zr","density":6.689251447900522,"density_atomic":0.05921553729844999,"volume":135.09967763493393,"volume_molar":10.16986594185245,"formula_full":"Zr4 Ni2 P2","formula_reduced":"Zr2NiP","formula_anonymous":"ABC2","energy_above_hull":2.9002192250000007,"spacegroup":11},{"id":"jvasp-16812","created_at":"2022-09-04T14:37:56.503131Z","updated_at":"2022-09-04T14:37:56.503148Z","structure_string":"Zr2 Np1\n1.0\n2.619369 -4.536882 -0.000000\n2.619369 4.536882 0.000000\n0.000000 0.000000 2.768698\nZr Np\n2 1\ndirect\n0.666667 0.333333 0.500000 Zr\n0.333333 0.666667 0.500000 Zr\n0.000000 0.000000 0.000000 Np\n","nsites":3,"nelements":2,"elements":["Zr","Np"],"chemical_system":"Np-Zr","density":10.584430012216789,"density_atomic":0.045589151041344006,"volume":65.80512976166966,"volume_molar":13.209591805161333,"formula_full":"Zr2 Np1","formula_reduced":"Zr2Np","formula_anonymous":"AB2","energy_above_hull":4.799243000000001,"spacegroup":191},{"id":"jvasp-4807","created_at":"2022-09-04T14:37:13.013261Z","updated_at":"2022-09-04T14:37:13.013292Z","structure_string":"Zr2 Np1\n1.0\n2.619099 -4.536413 0.000000\n2.619099 4.536413 0.000000\n0.000000 0.000000 2.767775\nZr Np\n2 1\ndirect\n0.666667 0.333333 0.500001 Zr\n0.333333 0.666667 0.500001 Zr\n0.000000 0.000000 0.000000 Np\n","nsites":3,"nelements":2,"elements":["Zr","Np"],"chemical_system":"Np-Zr","density":10.590145973995368,"density_atomic":0.04561377077472307,"volume":65.76961187480808,"volume_molar":13.202462014688724,"formula_full":"Zr2 Np1","formula_reduced":"Zr2Np","formula_anonymous":"AB2","energy_above_hull":4.7992463333333335,"spacegroup":191},{"id":"jvasp-16326","created_at":"2022-09-04T14:37:56.384507Z","updated_at":"2022-09-04T14:37:56.384529Z","structure_string":"Zr4 O2\n1.0\n4.857104 0.000000 0.000000\n0.000000 4.857104 0.000000\n0.000000 0.000000 4.857104\nZr O\n4 2\ndirect\n0.749999 0.749999 0.250000 Zr\n0.250000 0.749999 0.749999 Zr\n0.749999 0.250000 0.749999 Zr\n0.250000 0.250000 0.250000 Zr\n0.500000 0.500000 0.500000 O\n0.000000 0.000000 0.000000 O\n","nsites":6,"nelements":2,"elements":["Zr","O"],"chemical_system":"O-Zr","density":5.751647986812043,"density_atomic":0.05236233952753621,"volume":114.58617117068903,"volume_molar":11.500900865655723,"formula_full":"Zr4 O2","formula_reduced":"Zr2O","formula_anonymous":"AB2","energy_above_hull":2.690760833333333,"spacegroup":224},{"id":"jvasp-81701","created_at":"2022-09-04T14:37:08.935655Z","updated_at":"2022-09-04T14:37:08.935674Z","structure_string":"Zr2 Os1 Pd1\n1.0\n-8.934114 0.000000 -5.158113\n-5.796251 -1.242238 -0.276824\n-4.324525 2.920433 -2.825929\nZr Os Pd\n2 1 1\ndirect\n0.745788 0.000000 -0.000000 Zr\n0.254212 0.000000 -0.000000 Zr\n0.500000 0.000000 -0.000000 Os\n0.000000 0.000000 0.000000 Pd\n","nsites":4,"nelements":3,"elements":["Zr","Os","Pd"],"chemical_system":"Os-Pd-Zr","density":10.407872884863757,"density_atomic":0.05232973257788335,"volume":76.43838030409812,"volume_molar":11.508067141442263,"formula_full":"Zr2 Os1 Pd1","formula_reduced":"Zr2OsPd","formula_anonymous":"ABC2","energy_above_hull":4.139049925,"spacegroup":71},{"id":"jvasp-38858","created_at":"2022-09-04T14:38:06.795944Z","updated_at":"2022-09-04T14:38:06.795972Z","structure_string":"Zr2 Os1 Ru1\n1.0\n0.000008 3.279320 3.279321\n3.279329 0.000006 3.279323\n3.279335 3.279328 -0.000000\nZr Os Ru\n2 1 1\ndirect\n0.000001 0.000000 0.000000 Zr\n0.500000 0.499999 0.500001 Zr\n0.250000 0.250000 0.250000 Os\n0.750000 0.749999 0.750001 Ru\n","nsites":4,"nelements":3,"elements":["Zr","Os","Ru"],"chemical_system":"Os-Ru-Zr","density":11.15356342935256,"density_atomic":0.05671228498726021,"volume":70.53145541391174,"volume_molar":10.618758812756017,"formula_full":"Zr2 Os1 Ru1","formula_reduced":"Zr2OsRu","formula_anonymous":"ABC2","energy_above_hull":4.598566125,"spacegroup":225},{"id":"jvasp-88387","created_at":"2022-09-04T14:35:44.781740Z","updated_at":"2022-09-04T14:35:44.781767Z","structure_string":"Zr4 P4 O18\n1.0\n6.116397 -0.000000 2.680880\n2.990866 6.881353 1.494059\n0.021281 0.030340 8.269132\nZr P O\n4 4 18\ndirect\n0.942628 0.213270 0.901474 Zr\n0.057373 0.786729 0.098526 Zr\n0.316301 0.731763 0.635636 Zr\n0.683700 0.268236 0.364363 Zr\n0.408451 0.344904 0.838195 P\n0.170958 0.204831 0.453253 P\n0.591550 0.655096 0.161805 P\n0.829043 0.795168 0.546747 P\n0.273524 0.980077 0.472875 O\n0.620589 0.238225 0.897282 O\n0.624763 0.725755 0.645796 O\n0.885406 0.071902 0.157287 O\n0.966056 0.707354 0.360534 O\n0.033945 0.292645 0.639465 O\n0.726477 0.019922 0.527124 O\n0.484440 0.396245 0.634876 O\n0.375238 0.274245 0.354204 O\n0.267468 0.557947 0.907118 O\n0.003687 0.725755 0.645796 O\n0.379412 0.761775 0.102718 O\n0.243904 0.238225 0.897282 O\n0.515561 0.603754 0.365123 O\n0.756097 0.761775 0.102718 O\n0.996314 0.274245 0.354203 O\n0.732533 0.442053 0.092882 O\n0.114595 0.928097 0.842713 O\n","nsites":26,"nelements":3,"elements":["Zr","P","O"],"chemical_system":"O-P-Zr","density":3.710654041393637,"density_atomic":0.07479568467002261,"volume":347.61363726670385,"volume_molar":8.051454821983354,"formula_full":"Zr4 P4 O18","formula_reduced":"Zr2P2O9","formula_anonymous":"A2B2C9","energy_above_hull":3.1976278076923075,"spacegroup":12},{"id":"jvasp-110117","created_at":"2022-09-04T14:38:16.594688Z","updated_at":"2022-09-04T14:38:16.594709Z","structure_string":"Zr2 P3 S1\n1.0\n3.623634 0.000000 0.000000\n0.000000 3.623634 0.000000\n0.000000 0.000000 7.855687\nZr P S\n2 3 1\ndirect\n0.499999 0.499999 0.266659 Zr\n0.000000 0.000000 0.734184 Zr\n0.499999 0.000000 0.998450 P\n-0.000000 0.499999 0.998450 P\n0.000000 0.000000 0.379004 P\n0.499999 0.499999 0.623254 S\n","nsites":6,"nelements":3,"elements":["Zr","P","S"],"chemical_system":"P-S-Zr","density":4.9491267229247855,"density_atomic":0.058167235989086116,"volume":103.15085284653678,"volume_molar":10.35314925593152,"formula_full":"Zr2 P3 S1","formula_reduced":"Zr2P3S","formula_anonymous":"AB2C3","energy_above_hull":3.397505916666667,"spacegroup":99},{"id":"jvasp-90820","created_at":"2022-09-04T14:36:22.150100Z","updated_at":"2022-09-04T14:36:22.150129Z","structure_string":"Zr4 Pb2 C2\n1.0\n-1.707028 -2.956664 0.000000\n-1.707028 2.956664 -0.000000\n0.000000 -0.000000 -14.891137\nZr Pb C\n4 2 2\ndirect\n0.666676 0.333326 0.582475 Zr\n0.333326 0.666676 0.417526 Zr\n0.333326 0.666676 0.082474 Zr\n0.666676 0.333326 0.917526 Zr\n0.666674 0.333327 0.250000 Pb\n0.333327 0.666674 0.750000 Pb\n0.000000 0.000000 0.500000 C\n0.000000 0.000000 0.000000 C\n","nsites":8,"nelements":3,"elements":["Zr","Pb","C"],"chemical_system":"C-Pb-Zr","density":8.874334577688249,"density_atomic":0.05322179452021566,"volume":150.31436035027522,"volume_molar":11.315177953484005,"formula_full":"Zr4 Pb2 C2","formula_reduced":"Zr2PbC","formula_anonymous":"ABC2","energy_above_hull":3.538397455,"spacegroup":194},{"id":"jvasp-14631","created_at":"2022-09-04T14:35:49.818411Z","updated_at":"2022-09-04T14:35:49.818447Z","structure_string":"Zr2 Pd1\n1.0\n3.207078 0.000000 -0.931312\n-0.270446 3.195655 -0.931312\n-0.022556 -0.024546 5.909950\nZr Pd\n2 1\ndirect\n0.656475 0.656474 0.312953 Zr\n0.343523 0.343523 0.687047 Zr\n0.000000 0.000000 0.000000 Pd\n","nsites":3,"nelements":2,"elements":["Zr","Pd"],"chemical_system":"Pd-Zr","density":7.938673288491605,"density_atomic":0.04965015994239919,"volume":60.42276607931173,"volume_molar":12.12914674793895,"formula_full":"Zr2 Pd1","formula_reduced":"Zr2Pd","formula_anonymous":"AB2","energy_above_hull":2.8744382333333336,"spacegroup":139}]}