{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-spacegroup&page=3417","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-spacegroup&page=3415","results":[{"id":"jvasp-30445","created_at":"2022-09-04T14:38:05.070484Z","updated_at":"2022-09-04T14:38:05.070511Z","structure_string":"Dy4 Mg2\n1.0\n3.618357 -0.000000 0.000000\n1.809178 8.550508 0.000000\n0.000000 0.000000 5.430622\nDy Mg\n4 2\ndirect\n0.983894 0.032215 0.000000 Dy\n0.662010 0.675984 0.000000 Dy\n0.793887 0.412230 0.499999 Dy\n0.115770 0.768461 0.499999 Dy\n0.324114 0.351774 0.000000 Mg\n0.453666 0.092669 0.499999 Mg\n","nsites":6,"nelements":2,"elements":["Dy","Mg"],"chemical_system":"Dy-Mg","density":6.904480213495724,"density_atomic":0.03571069844520563,"volume":168.01687620885878,"volume_molar":16.863687976420714,"formula_full":"Dy4 Mg2","formula_reduced":"Dy2Mg","formula_anonymous":"AB2","energy_above_hull":0.6988636111111111,"spacegroup":63},{"id":"jvasp-37120","created_at":"2022-09-04T14:38:05.280859Z","updated_at":"2022-09-04T14:38:05.280890Z","structure_string":"Pr2 Pd2\n1.0\n-3.916141 0.000000 0.000000\n0.000000 -0.000000 -4.646931\n-1.958070 -5.488755 -0.000000\nPr Pd\n2 2\ndirect\n0.136411 0.750000 0.727177 Pr\n0.863589 0.250000 0.272823 Pr\n0.412969 0.750000 0.174062 Pd\n0.587031 0.250000 0.825937 Pd\n","nsites":4,"nelements":2,"elements":["Pr","Pd"],"chemical_system":"Pd-Pr","density":8.223437090691458,"density_atomic":0.040046226702322066,"volume":99.88456664677628,"volume_molar":15.037973002462198,"formula_full":"Pr2 Pd2","formula_reduced":"PrPd","formula_anonymous":"AB","energy_above_hull":0.7015127750000003,"spacegroup":63},{"id":"jvasp-30462","created_at":"2022-09-04T14:38:05.293862Z","updated_at":"2022-09-04T14:38:05.293890Z","structure_string":"C12 N16\n1.0\n7.133442 -0.000085 0.000000\n-3.566794 6.177699 0.000000\n0.000000 0.000000 6.068414\nC N\n12 16\ndirect\n0.251735 0.105374 0.000000 C\n0.224885 0.132224 0.500000 C\n0.214462 0.448450 0.500000 C\n0.551347 0.448654 0.500000 C\n0.551551 0.785539 0.500000 C\n0.867777 0.775116 0.500000 C\n0.225503 0.774498 0.500000 C\n0.905050 0.432039 0.000000 C\n0.894009 0.105992 0.000000 C\n0.568166 0.431835 0.000000 C\n0.567961 0.094950 0.000000 C\n0.894627 0.748266 0.000000 C\n0.106289 0.893712 0.500000 N\n0.110973 0.559248 0.500000 N\n0.440753 0.889028 0.500000 N\n0.439094 0.560907 0.500000 N\n0.767263 0.889137 0.500000 N\n0.766475 0.559009 0.500000 N\n0.678520 0.646964 0.000000 N\n0.353037 0.321481 0.000000 N\n0.008539 0.321241 0.000000 N\n0.678760 0.991462 0.000000 N\n0.680418 0.319583 0.000000 N\n0.352249 0.991353 0.000000 N\n0.110864 0.232738 0.500000 N\n0.013223 0.986777 0.000000 N\n0.008648 0.647752 0.000000 N\n0.440992 0.233526 0.500000 N\n","nsites":28,"nelements":2,"elements":["C","N"],"chemical_system":"C-N","density":2.286529336115146,"density_atomic":0.104703196139638,"volume":267.42259102250944,"volume_molar":5.75163030550523,"formula_full":"C12 N16","formula_reduced":"C3N4","formula_anonymous":"A3B4","energy_above_hull":6.352041857142856,"spacegroup":63},{"id":"jvasp-37138","created_at":"2022-09-04T14:38:05.348178Z","updated_at":"2022-09-04T14:38:05.348198Z","structure_string":"Nd2 Ni2\n1.0\n-3.812360 -0.000000 0.000000\n0.000000 -0.000000 -4.334622\n-1.906180 -5.266123 0.000000\nNd Ni\n2 2\ndirect\n0.137524 0.750000 0.724952 Nd\n0.862477 0.250000 0.275048 Nd\n0.425060 0.750000 0.149879 Ni\n0.574940 0.250000 0.850120 Ni\n","nsites":4,"nelements":2,"elements":["Nd","Ni"],"chemical_system":"Nd-Ni","density":7.744631731837092,"density_atomic":0.04596463942673686,"volume":87.02341734618867,"volume_molar":13.101681716874346,"formula_full":"Nd2 Ni2","formula_reduced":"NdNi","formula_anonymous":"AB","energy_above_hull":0.6930419500000002,"spacegroup":63},{"id":"jvasp-20642","created_at":"2022-09-04T14:38:05.397636Z","updated_at":"2022-09-04T14:38:05.397654Z","structure_string":"Er2 Ge2\n1.0\n3.944947 -0.000000 -0.000000\n-0.000000 3.904842 -1.563418\n0.000000 0.020913 5.710368\nEr Ge\n2 2\ndirect\n0.250000 0.862648 0.725299 Er\n0.750001 0.137350 0.274701 Er\n0.250000 0.588950 0.177900 Ge\n0.750001 0.411049 0.822100 Ge\n","nsites":4,"nelements":2,"elements":["Er","Ge"],"chemical_system":"Er-Ge","density":9.04403957344508,"density_atomic":0.04540617457273135,"volume":88.09374578765325,"volume_molar":13.262823430222625,"formula_full":"Er2 Ge2","formula_reduced":"ErGe","formula_anonymous":"AB","energy_above_hull":0.2879379749999997,"spacegroup":63},{"id":"jvasp-32125","created_at":"2022-09-04T14:38:05.408032Z","updated_at":"2022-09-04T14:38:05.408060Z","structure_string":"Cu2 H12 N4 Cl4\n1.0\n0.000000 -0.000000 -5.771194\n3.810615 -5.387542 0.000000\n-3.810615 -5.387542 0.000000\nCu H N Cl\n2 12 4 4\ndirect\n0.750000 0.110075 0.110075 Cu\n0.250000 0.889924 0.889924 Cu\n0.894343 0.463082 0.841263 H\n0.605656 0.463082 0.841263 H\n0.750000 0.323346 0.713863 H\n0.394342 0.158737 0.536918 H\n0.105657 0.158737 0.536918 H\n0.250000 0.286136 0.676654 H\n0.605656 0.841263 0.463082 H\n0.750000 0.713863 0.323346 H\n0.250000 0.676654 0.286136 H\n0.394342 0.536918 0.158737 H\n0.105657 0.536918 0.158737 H\n0.894343 0.841263 0.463082 H\n0.250000 0.631313 0.150878 N\n0.750000 0.849122 0.368688 N\n0.250000 0.150878 0.631313 N\n0.750000 0.368688 0.849122 N\n0.250000 0.664898 0.664898 Cl\n0.250000 0.111926 0.111926 Cl\n0.750000 0.335103 0.335103 Cl\n0.750000 0.888073 0.888073 Cl\n","nsites":22,"nelements":4,"elements":["Cu","H","N","Cl"],"chemical_system":"Cl-Cu-H-N","density":2.361735164107382,"density_atomic":0.09284131222789972,"volume":236.9634753330079,"volume_molar":6.486488197428007,"formula_full":"Cu2 H12 N4 Cl4","formula_reduced":"CuH6(NCl)2","formula_anonymous":"AB2C2D6","energy_above_hull":2.764605916818182,"spacegroup":63},{"id":"jvasp-30759","created_at":"2022-09-04T14:38:05.427416Z","updated_at":"2022-09-04T14:38:05.427435Z","structure_string":"Cr4 O10\n1.0\n11.098296 0.000000 0.000000\n0.000000 5.004266 -1.775003\n0.000000 -0.000000 3.550008\nCr O\n4 10\ndirect\n0.148036 0.902356 0.951179 Cr\n0.351964 0.097645 0.548823 Cr\n0.648036 0.097645 0.548823 Cr\n0.851964 0.902356 0.951179 Cr\n0.000000 0.023676 0.011838 O\n0.133811 0.589941 0.794972 O\n0.182638 0.001770 0.500885 O\n0.317363 0.998229 0.999116 O\n0.366189 0.410060 0.705031 O\n0.500000 0.976325 0.488164 O\n0.633811 0.410060 0.705031 O\n0.866189 0.589941 0.794972 O\n0.682638 0.998229 0.999116 O\n0.817363 0.001770 0.500885 O\n","nsites":14,"nelements":2,"elements":["Cr","O"],"chemical_system":"Cr-O","density":3.0991700215808864,"density_atomic":0.07100713890221526,"volume":197.16327423471546,"volume_molar":8.481035643885269,"formula_full":"Cr4 O10","formula_reduced":"Cr2O5","formula_anonymous":"A2B5","energy_above_hull":3.2647403285714285,"spacegroup":63},{"id":"jvasp-9920","created_at":"2022-09-04T14:38:05.896130Z","updated_at":"2022-09-04T14:38:05.896157Z","structure_string":"Ca2 Bi4 O8\n1.0\n3.400426 0.000000 0.000000\n-1.700213 5.730999 0.000000\n-0.000000 -0.000000 11.351154\nCa Bi O\n2 4 8\ndirect\n0.384240 0.768479 0.750000 Ca\n0.615762 0.231522 0.250000 Ca\n0.868007 0.736014 0.077558 Bi\n0.131995 0.263987 0.922442 Bi\n0.868007 0.736014 0.422442 Bi\n0.131995 0.263987 0.577557 Bi\n0.224488 0.448978 0.378336 O\n0.775514 0.551023 0.621663 O\n0.775514 0.551023 0.878336 O\n0.224488 0.448978 0.121663 O\n0.974983 0.949964 0.250000 O\n0.025019 0.050037 0.750000 O\n0.500001 -0.000000 0.000000 O\n0.500001 -0.000000 0.500000 O\n","nsites":14,"nelements":3,"elements":["Ca","Bi","O"],"chemical_system":"Bi-Ca-O","density":7.837475615084359,"density_atomic":0.06328843536847513,"volume":221.2094503283233,"volume_molar":9.515388909424223,"formula_full":"Ca2 Bi4 O8","formula_reduced":"Ca(BiO2)2","formula_anonymous":"AB2C4","energy_above_hull":1.5334975742857142,"spacegroup":63},{"id":"jvasp-106999","created_at":"2022-09-04T14:38:06.121806Z","updated_at":"2022-09-04T14:38:06.121830Z","structure_string":"Dy2 P2 Ru4 C2\n1.0\n5.842892 -0.004676 0.000000\n-4.618799 3.578561 0.000000\n-0.000000 -0.000000 7.066865\nDy P Ru C\n2 2 4 2\ndirect\n0.543908 0.456090 0.250000 Dy\n0.456090 0.543908 0.750001 Dy\n0.268329 0.731670 0.250000 P\n0.731669 0.268329 0.750001 P\n0.834739 0.165259 0.053131 Ru\n0.165260 0.834739 0.946870 Ru\n0.165260 0.834739 0.553131 Ru\n0.834739 0.165259 0.446869 Ru\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n","nsites":10,"nelements":4,"elements":["Dy","P","Ru","C"],"chemical_system":"C-Dy-P-Ru","density":9.171177042061247,"density_atomic":0.06774632566244225,"volume":147.60948143264218,"volume_molar":8.889250746979778,"formula_full":"Dy2 P2 Ru4 C2","formula_reduced":"DyPRu2C","formula_anonymous":"ABCD2","energy_above_hull":3.9972606,"spacegroup":63},{"id":"jvasp-28354","created_at":"2022-09-04T14:38:08.235994Z","updated_at":"2022-09-04T14:38:08.236011Z","structure_string":"Se2\n1.0\n2.821044 -0.000000 0.000000\n-1.410521 3.903419 -0.000000\n-0.000000 0.000000 4.677285\nSe\n2\ndirect\n0.066961 0.133919 0.250000 Se\n0.933039 0.866081 0.750001 Se\n","nsites":2,"nelements":1,"elements":["Se"],"chemical_system":"Se","density":5.091401751697326,"density_atomic":0.03883122850180814,"volume":51.50493757638577,"volume_molar":15.50849919600042,"formula_full":"Se2","formula_reduced":"Se","formula_anonymous":"A","energy_above_hull":0.1658233666666666,"spacegroup":63},{"id":"jvasp-36768","created_at":"2022-09-04T14:38:06.459374Z","updated_at":"2022-09-04T14:38:06.459392Z","structure_string":"Ba2 Ag2 O4\n1.0\n0.840011 3.759490 0.000000\n0.000000 0.000000 4.365695\n8.989742 -0.035056 0.000000\nBa Ag O\n2 2 4\ndirect\n0.668092 0.250000 0.663814 Ba\n0.331907 0.749999 0.336185 Ba\n0.937584 0.250000 0.124833 Ag\n0.062415 0.749999 0.875167 Ag\n0.818096 0.250000 0.363807 O\n0.057981 0.250000 0.884034 O\n0.181903 0.749999 0.636193 O\n0.942018 0.749999 0.115966 O\n","nsites":8,"nelements":3,"elements":["Ba","Ag","O"],"chemical_system":"Ag-Ba-O","density":6.2338324644828,"density_atomic":0.05417291368261433,"volume":147.67527637280168,"volume_molar":11.116516263611425,"formula_full":"Ba2 Ag2 O4","formula_reduced":"BaAgO2","formula_anonymous":"ABC2","energy_above_hull":0.6793200575,"spacegroup":63},{"id":"jvasp-30106","created_at":"2022-09-04T14:38:06.624863Z","updated_at":"2022-09-04T14:38:06.624882Z","structure_string":"U2 B8 H32\n1.0\n3.966353 3.890931 -0.000000\n-3.966353 3.890931 -0.000000\n0.000000 0.000000 11.631742\nU B H\n2 8 32\ndirect\n0.304816 0.304816 0.250000 U\n0.695184 0.695184 0.750000 U\n0.382333 0.809988 0.250000 B\n0.190012 0.617667 0.750000 B\n0.617667 0.190012 0.750000 B\n0.809988 0.382333 0.250000 B\n0.234387 0.234387 0.038942 B\n0.765613 0.765613 0.961058 B\n0.234387 0.234387 0.461058 B\n0.765613 0.765613 0.538942 B\n0.893373 0.893373 0.896654 H\n0.106627 0.106627 0.396654 H\n0.893373 0.893373 0.603346 H\n0.444763 0.192315 0.070396 H\n0.807685 0.555236 0.929604 H\n0.444763 0.192315 0.429604 H\n0.192315 0.444763 0.429604 H\n0.555236 0.807685 0.929604 H\n0.192315 0.444763 0.070396 H\n0.555236 0.807685 0.570396 H\n0.106627 0.106627 0.103346 H\n0.801686 0.801686 0.061107 H\n0.198313 0.198313 0.938893 H\n0.807685 0.555236 0.570396 H\n0.688592 0.394232 0.161878 H\n0.394232 0.688592 0.161878 H\n0.688592 0.394232 0.338122 H\n0.605768 0.311408 0.661878 H\n0.311408 0.605768 0.838121 H\n0.801686 0.801686 0.438893 H\n0.311408 0.605768 0.661878 H\n0.394232 0.688592 0.338122 H\n0.909112 0.184254 0.250000 H\n0.815745 0.090887 0.750000 H\n0.090887 0.815745 0.750000 H\n0.184254 0.909112 0.250000 H\n0.959219 0.550365 0.250000 H\n0.449634 0.040781 0.750000 H\n0.040781 0.449634 0.750000 H\n0.550365 0.959219 0.250000 H\n0.605768 0.311408 0.838121 H\n0.198313 0.198313 0.561107 H\n","nsites":42,"nelements":3,"elements":["U","B","H"],"chemical_system":"B-H-U","density":2.7510617300183693,"density_atomic":0.11698485512531044,"volume":359.02083184195885,"volume_molar":5.147795202677538,"formula_full":"U2 B8 H32","formula_reduced":"U(BH4)4","formula_anonymous":"AB4C16","energy_above_hull":3.9186374444444447,"spacegroup":63}]}