{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-energy_above_hull&page=4561","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-energy_above_hull&page=4559","results":[{"id":"jvasp-81754","created_at":"2022-09-04T14:37:06.802047Z","updated_at":"2022-09-04T14:37:06.802069Z","structure_string":"Sr1 Sn1 Hg2\n1.0\n-12.303764 4.651628 0.492498\n-8.555450 1.628418 3.007001\n-7.029139 5.945476 0.363354\nSr Sn Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.499999 0.000000 0.000001 Sn\n0.746572 0.002586 0.002587 Hg\n0.253427 -0.002586 -0.002585 Hg\n","nsites":4,"nelements":3,"elements":["Sr","Sn","Hg"],"chemical_system":"Hg-Sn-Sr","density":9.219999227494956,"density_atomic":0.036558498246451146,"volume":109.41368469336109,"volume_molar":16.47261525734195,"formula_full":"Sr1 Sn1 Hg2","formula_reduced":"SrSnHg2","formula_anonymous":"ABC2","energy_above_hull":0.0,"spacegroup":139},{"id":"jvasp-16394","created_at":"2022-09-04T14:37:27.591509Z","updated_at":"2022-09-04T14:37:27.591530Z","structure_string":"Yb3 Ag3 Sn3\n1.0\n2.392585 -4.144078 0.000000\n2.392585 4.144078 -0.000000\n0.000000 -0.000000 10.747726\nYb Ag Sn\n3 3 3\ndirect\n0.000000 0.000000 0.000000 Yb\n0.000000 0.000000 0.332311 Yb\n0.000000 0.000000 0.667689 Yb\n0.666666 0.333332 0.194860 Ag\n0.666666 0.333332 0.805140 Ag\n0.333332 0.666666 0.500000 Ag\n0.333332 0.666666 0.147031 Sn\n0.666666 0.333332 0.500000 Sn\n0.333332 0.666666 0.852969 Sn\n","nsites":9,"nelements":3,"elements":["Yb","Ag","Sn"],"chemical_system":"Ag-Sn-Yb","density":9.340577601836852,"density_atomic":0.04222801147500563,"volume":213.12867183734232,"volume_molar":14.261009575514704,"formula_full":"Yb3 Ag3 Sn3","formula_reduced":"YbAgSn","formula_anonymous":"ABC","energy_above_hull":0.0,"spacegroup":187},{"id":"jvasp-11430","created_at":"2022-09-04T14:37:15.228675Z","updated_at":"2022-09-04T14:37:15.228691Z","structure_string":"Ba4 Ca4 Ge4\n1.0\n5.074501 0.000000 0.000000\n-0.000000 8.583408 0.000000\n0.000000 0.000000 9.102159\nBa Ca Ge\n4 4 4\ndirect\n0.250000 0.027827 0.175195 Ba\n0.750000 0.972173 0.824806 Ba\n0.250000 0.527827 0.324805 Ba\n0.750000 0.472173 0.675195 Ba\n0.750000 0.858425 0.424094 Ca\n0.250000 0.641575 0.924094 Ca\n0.750000 0.358425 0.075907 Ca\n0.250000 0.141575 0.575907 Ca\n0.250000 0.283082 0.891911 Ge\n0.750000 0.216918 0.391911 Ge\n0.250000 0.783082 0.608089 Ge\n0.750000 0.716918 0.108089 Ge\n","nsites":12,"nelements":3,"elements":["Ba","Ca","Ge"],"chemical_system":"Ba-Ca-Ge","density":4.1891869963311885,"density_atomic":0.030268000284652246,"volume":396.45830207305585,"volume_molar":19.896064171287854,"formula_full":"Ba4 Ca4 Ge4","formula_reduced":"BaCaGe","formula_anonymous":"ABC","energy_above_hull":0.0,"spacegroup":62},{"id":"jvasp-81282","created_at":"2022-09-04T14:37:14.220228Z","updated_at":"2022-09-04T14:37:14.220247Z","structure_string":"Sr2 Cd1 Ag1\n1.0\n-15.927771 0.000000 -9.195903\n-9.349810 -0.475593 -2.197459\n-8.201664 2.771855 -4.186108\nSr Cd Ag\n2 1 1\ndirect\n0.836667 0.000001 0.000000 Sr\n0.163333 0.000000 0.000000 Sr\n0.500000 0.000000 0.000000 Cd\n0.000000 0.000000 0.000000 Ag\n","nsites":4,"nelements":3,"elements":["Sr","Cd","Ag"],"chemical_system":"Ag-Cd-Sr","density":4.514942555482391,"density_atomic":0.027497648257606935,"volume":145.46698548642036,"volume_molar":21.90056656330251,"formula_full":"Sr2 Cd1 Ag1","formula_reduced":"Sr2CdAg","formula_anonymous":"ABC2","energy_above_hull":0.0,"spacegroup":139},{"id":"jvasp-8793","created_at":"2022-09-04T14:37:07.302964Z","updated_at":"2022-09-04T14:37:07.302983Z","structure_string":"K4 Na2 As2\n1.0\n2.663049 -4.612536 0.000000\n2.663049 4.612536 0.000000\n-0.000000 0.000000 10.459755\nK Na As\n4 2 2\ndirect\n0.333333 0.666667 0.084910 K\n0.333333 0.666667 0.415090 K\n0.666667 0.333333 0.584909 K\n0.666667 0.333333 0.915090 K\n0.000000 0.000000 0.250000 Na\n0.000000 0.000000 0.750000 Na\n0.333333 0.666667 0.750000 As\n0.666667 0.333333 0.250000 As\n","nsites":8,"nelements":3,"elements":["K","Na","As"],"chemical_system":"As-K-Na","density":2.2760807632259,"density_atomic":0.03113289829654075,"volume":256.96290540636556,"volume_molar":19.343334830696236,"formula_full":"K4 Na2 As2","formula_reduced":"K2NaAs","formula_anonymous":"ABC2","energy_above_hull":0.0,"spacegroup":194},{"id":"jvasp-9545","created_at":"2022-09-04T14:37:28.760936Z","updated_at":"2022-09-04T14:37:28.760962Z","structure_string":"Mg2 Fe2 F8\n1.0\n4.975963 0.005466 -0.010760\n-0.005495 4.976141 0.000839\n-2.473300 -2.491656 5.512365\nMg Fe F\n2 2 8\ndirect\n0.215247 0.214256 0.431920 Mg\n0.782440 0.781442 0.566290 Mg\n0.466764 -0.034192 -0.065033 Fe\n0.030909 0.529920 0.063245 Fe\n0.424292 0.475935 0.345495 F\n0.097965 0.145977 0.831689 F\n0.732315 0.682362 0.831725 F\n0.130554 0.572405 0.652714 F\n0.919799 0.866111 0.345484 F\n0.314383 0.898698 0.166498 F\n0.850730 0.264396 0.166515 F\n0.520720 0.076887 0.652710 F\n","nsites":12,"nelements":3,"elements":["Mg","Fe","F"],"chemical_system":"F-Fe-Mg","density":3.8026289353126397,"density_atomic":0.08799578658557357,"volume":136.37016572754104,"volume_molar":6.843669445631499,"formula_full":"Mg2 Fe2 F8","formula_reduced":"MgFeF4","formula_anonymous":"ABC4","energy_above_hull":0.0,"spacegroup":82},{"id":"jvasp-79251","created_at":"2022-09-04T14:37:15.950563Z","updated_at":"2022-09-04T14:37:15.950583Z","structure_string":"Tl2 F2\n1.0\n3.766403 0.000000 -0.000000\n-0.000000 3.766403 0.000000\n-0.000000 0.000000 6.114094\nTl F\n2 2\ndirect\n0.749999 0.749999 0.742695 Tl\n0.250000 0.250000 0.257305 Tl\n0.250000 0.250000 0.851231 F\n0.749999 0.749999 0.148768 F\n","nsites":4,"nelements":2,"elements":["Tl","F"],"chemical_system":"F-Tl","density":8.553443785520592,"density_atomic":0.046118407854411084,"volume":86.7332630525191,"volume_molar":13.057997966909435,"formula_full":"Tl2 F2","formula_reduced":"TlF","formula_anonymous":"AB","energy_above_hull":0.0,"spacegroup":129},{"id":"jvasp-104503","created_at":"2022-09-04T14:37:07.046539Z","updated_at":"2022-09-04T14:37:07.046568Z","structure_string":"K2 Rb1 Y1 F6\n1.0\n5.833346 -0.000000 3.367884\n1.944449 5.499731 3.367884\n-0.000000 -0.000000 6.735768\nK Rb Y F\n2 1 1 6\ndirect\n0.750001 0.750000 0.749999 K\n0.250000 0.250000 0.250000 K\n0.500001 0.500000 0.499999 Rb\n0.000000 0.000000 0.000000 Y\n0.773159 0.226841 0.226840 F\n0.226841 0.226841 0.773159 F\n0.226842 0.773159 0.773158 F\n0.226842 0.773159 0.226841 F\n0.773159 0.226841 0.773158 F\n0.773160 0.773159 0.226840 F\n","nsites":10,"nelements":4,"elements":["K","Rb","Y","F"],"chemical_system":"F-K-Rb-Y","density":2.816752294667893,"density_atomic":0.04627577434159992,"volume":216.09578969293298,"volume_molar":13.013592631741997,"formula_full":"K2 Rb1 Y1 F6","formula_reduced":"K2RbYF6","formula_anonymous":"ABC2D6","energy_above_hull":0.0,"spacegroup":225},{"id":"jvasp-85195","created_at":"2022-09-04T14:37:15.949061Z","updated_at":"2022-09-04T14:37:15.949079Z","structure_string":"La2 Tl2 Zn2\n1.0\n4.819564 0.000000 0.000000\n-2.409782 4.174235 0.000000\n0.000000 0.000000 7.837700\nLa Tl Zn\n2 2 2\ndirect\n0.000000 0.000000 0.500000 La\n0.000000 0.000000 0.000000 La\n0.333338 0.666675 0.250000 Tl\n0.666662 0.333326 0.750000 Tl\n0.333334 0.666667 0.750000 Zn\n0.666666 0.333334 0.250000 Zn\n","nsites":6,"nelements":3,"elements":["La","Tl","Zn"],"chemical_system":"La-Tl-Zn","density":8.608115351793986,"density_atomic":0.038052041985500565,"volume":157.67879164766646,"volume_molar":15.826064636149331,"formula_full":"La2 Tl2 Zn2","formula_reduced":"LaTlZn","formula_anonymous":"ABC","energy_above_hull":0.0,"spacegroup":194},{"id":"jvasp-80202","created_at":"2022-09-04T14:37:15.933247Z","updated_at":"2022-09-04T14:37:15.933263Z","structure_string":"K2 Hg1 Se1\n1.0\n-9.382682 -2.591309 -9.648683\n-5.016922 -2.267782 -1.001709\n-3.400894 2.303035 -3.800751\nK Hg Se\n2 1 1\ndirect\n0.750020 0.000021 0.000021 K\n0.249980 -0.000021 -0.000021 K\n0.500000 0.000000 -0.000000 Hg\n0.000000 0.000000 0.000000 Se\n","nsites":4,"nelements":3,"elements":["K","Hg","Se"],"chemical_system":"Hg-K-Se","density":4.792150917744422,"density_atomic":0.03226754063327859,"volume":123.96358450308009,"volume_molar":18.663153874792574,"formula_full":"K2 Hg1 Se1","formula_reduced":"K2HgSe","formula_anonymous":"ABC2","energy_above_hull":0.0,"spacegroup":225},{"id":"jvasp-29558","created_at":"2022-09-04T14:37:14.933125Z","updated_at":"2022-09-04T14:37:14.933136Z","structure_string":"Bi2 Br6\n1.0\n6.733002 0.026169 -1.195521\n-1.920486 5.906808 -3.577068\n0.010314 -0.002874 7.167562\nBi Br\n2 6\ndirect\n-0.000000 0.833607 0.166393 Bi\n-0.000000 0.166394 0.833607 Bi\n0.257547 0.921664 0.584639 Br\n0.742452 0.415361 0.078336 Br\n0.257547 0.584640 0.921664 Br\n0.742452 0.078337 0.415361 Br\n0.263516 0.245860 0.245860 Br\n0.736483 0.754141 0.754140 Br\n","nsites":8,"nelements":2,"elements":["Bi","Br"],"chemical_system":"Bi-Br","density":5.2209832009836,"density_atomic":0.028029443558913958,"volume":285.4141568377953,"volume_molar":21.485052842174,"formula_full":"Bi2 Br6","formula_reduced":"BiBr3","formula_anonymous":"AB3","energy_above_hull":0.0,"spacegroup":12},{"id":"jvasp-79921","created_at":"2022-09-04T14:37:14.062122Z","updated_at":"2022-09-04T14:37:14.062148Z","structure_string":"Mg1 Zn1 Au2\n1.0\n0.000000 3.234085 3.234085\n3.234085 0.000000 3.234085\n3.234085 3.234085 0.000000\nMg Zn Au\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Mg\n0.750001 0.750001 0.750001 Zn\n0.500002 0.500002 0.500002 Au\n0.000000 0.000000 0.000000 Au\n","nsites":4,"nelements":3,"elements":["Mg","Zn","Au"],"chemical_system":"Au-Mg-Zn","density":11.87116752348719,"density_atomic":0.05912561966752366,"volume":67.65256791375512,"volume_molar":10.185332168802322,"formula_full":"Mg1 Zn1 Au2","formula_reduced":"MgZnAu2","formula_anonymous":"ABC2","energy_above_hull":0.0,"spacegroup":225}]}