{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-volume&page=3394","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-volume&page=3392","results":[{"id":"jvasp-65213","created_at":"2022-09-04T14:35:48.270517Z","updated_at":"2022-09-04T14:35:48.270548Z","structure_string":"Mg1 Be1 Cu4\n1.0\n-0.000000 3.417629 3.417629\n3.417629 0.000000 3.417629\n3.417629 3.417629 -0.000000\nMg Be Cu\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Mg\n0.000000 0.000000 0.000000 Be\n0.123864 0.625379 0.625379 Cu\n0.625379 0.625379 0.625379 Cu\n0.625379 0.123864 0.625379 Cu\n0.625379 0.625379 0.123864 Cu\n","nsites":6,"nelements":3,"elements":["Mg","Be","Cu"],"chemical_system":"Be-Cu-Mg","density":5.979763221773482,"density_atomic":0.07515303191783532,"volume":79.83709834301548,"volume_molar":8.013170734860035,"formula_full":"Mg1 Be1 Cu4","formula_reduced":"MgBeCu4","formula_anonymous":"ABC4","energy_above_hull":0.0,"spacegroup":216},{"id":"jvasp-69245","created_at":"2022-09-04T14:35:48.153708Z","updated_at":"2022-09-04T14:35:48.153739Z","structure_string":"Ba1 Ni1 Pd2\n1.0\n4.304057 0.000000 0.000000\n0.000000 4.304057 -0.000000\n0.000000 -0.000000 4.309579\nBa Ni Pd\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.500000 Ni\n0.500000 0.000000 0.000000 Pd\n0.000000 0.500000 0.000000 Pd\n","nsites":4,"nelements":3,"elements":["Ba","Ni","Pd"],"chemical_system":"Ba-Ni-Pd","density":8.504196214646226,"density_atomic":0.05010362135629376,"volume":79.83454871565966,"volume_molar":12.019372246919492,"formula_full":"Ba1 Ni1 Pd2","formula_reduced":"BaNiPd2","formula_anonymous":"ABC2","energy_above_hull":1.0377099425,"spacegroup":123},{"id":"jvasp-109085","created_at":"2022-09-04T14:38:18.488410Z","updated_at":"2022-09-04T14:38:18.488441Z","structure_string":"Yb1 Pa1 Ir2\n1.0\n4.185676 0.000000 2.416601\n1.395225 3.946294 2.416601\n-0.000000 0.000000 4.833203\nYb Pa Ir\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500001 0.500000 0.499999 Pa\n0.250001 0.250000 0.250000 Ir\n0.750002 0.749999 0.749999 Ir\n","nsites":4,"nelements":3,"elements":["Yb","Pa","Ir"],"chemical_system":"Ir-Pa-Yb","density":16.400842399160272,"density_atomic":0.050103712863788806,"volume":79.83440290890896,"volume_molar":12.019350295200079,"formula_full":"Yb1 Pa1 Ir2","formula_reduced":"YbPaIr2","formula_anonymous":"ABC2","energy_above_hull":3.091814,"spacegroup":225},{"id":"jvasp-38522","created_at":"2022-09-04T14:38:02.998483Z","updated_at":"2022-09-04T14:38:02.998498Z","structure_string":"Li3 Mg1\n1.0\n4.305827 -0.000000 0.000000\n-0.000000 4.305827 -0.000000\n0.000000 -0.000000 4.305827\nLi Mg\n3 1\ndirect\n0.500000 0.500000 0.000000 Li\n0.500000 0.000000 0.500000 Li\n0.000000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Mg\n","nsites":4,"nelements":2,"elements":["Li","Mg"],"chemical_system":"Li-Mg","density":0.9386970522362005,"density_atomic":0.050106060818268176,"volume":79.83066189353363,"volume_molar":12.018787072170692,"formula_full":"Li3 Mg1","formula_reduced":"Li3Mg","formula_anonymous":"AB3","energy_above_hull":0.5176464285714286,"spacegroup":221},{"id":"jvasp-41822","created_at":"2022-09-04T14:37:30.537615Z","updated_at":"2022-09-04T14:37:30.537641Z","structure_string":"Er2 Ir1 Pd1\n1.0\n-0.000000 3.417537 3.417537\n3.417537 0.000000 3.417537\n3.417537 3.417537 0.000000\nEr Ir Pd\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Er\n0.500002 0.500002 0.500002 Er\n0.250000 0.250000 0.250000 Ir\n0.750001 0.750001 0.750001 Pd\n","nsites":4,"nelements":3,"elements":["Er","Ir","Pd"],"chemical_system":"Er-Ir-Pd","density":13.170111966362684,"density_atomic":0.050106067622496926,"volume":79.83065105280893,"volume_molar":12.01878544006144,"formula_full":"Er2 Ir1 Pd1","formula_reduced":"Er2IrPd","formula_anonymous":"ABC2","energy_above_hull":1.9911767,"spacegroup":225},{"id":"jvasp-54719","created_at":"2022-09-04T14:36:56.800535Z","updated_at":"2022-09-04T14:36:56.800558Z","structure_string":"H4 N2 O3\n1.0\n4.503065 -0.147561 -0.147561\n-0.082744 4.215225 0.138464\n-0.082744 0.138464 4.215225\nH N O\n4 2 3\ndirect\n0.000001 0.238662 0.761336 H\n0.000001 0.704594 0.295404 H\n0.379278 0.337936 0.081889 H\n0.620725 0.918109 0.662062 H\n0.000001 0.054384 0.945614 N\n0.500001 0.589914 0.410085 N\n0.000001 0.533292 0.466706 O\n0.464066 0.559989 0.097594 O\n0.535937 0.902404 0.440009 O\n","nsites":9,"nelements":3,"elements":["H","N","O"],"chemical_system":"H-N-O","density":1.6650789286948258,"density_atomic":0.11274646291357496,"volume":79.82512060621262,"volume_molar":5.341312360828766,"formula_full":"H4 N2 O3","formula_reduced":"H4N2O3","formula_anonymous":"A2B3C4","energy_above_hull":3.682446333333333,"spacegroup":5},{"id":"jvasp-15157","created_at":"2022-09-04T14:36:34.660846Z","updated_at":"2022-09-04T14:36:34.660875Z","structure_string":"Tb1 B2 Ru3\n1.0\n2.753947 -4.769975 0.000000\n2.753947 4.769975 -0.000000\n0.000000 -0.000000 3.038311\nTb B Ru\n1 2 3\ndirect\n0.000000 0.000000 0.000000 Tb\n0.666668 0.333333 0.000000 B\n0.333333 0.666668 0.000000 B\n0.500001 0.000000 0.500000 Ru\n0.000000 0.500001 0.500000 Ru\n0.500001 0.500001 0.500000 Ru\n","nsites":6,"nelements":3,"elements":["Tb","B","Ru"],"chemical_system":"B-Ru-Tb","density":10.063354495410216,"density_atomic":0.07516529182667572,"volume":79.82407643457901,"volume_molar":8.011863738767229,"formula_full":"Tb1 B2 Ru3","formula_reduced":"TbB2Ru3","formula_anonymous":"AB2C3","energy_above_hull":4.340700844444445,"spacegroup":191},{"id":"jvasp-25239","created_at":"2022-09-04T14:38:31.588730Z","updated_at":"2022-09-04T14:38:31.588751Z","structure_string":"C14\n1.0\n2.519331 0.004245 14.349645\n1.253734 2.185222 14.349645\n0.007314 0.004245 14.569121\nC\n14\ndirect\n0.410468 0.410466 0.410471 C\n0.303684 0.303683 0.303686 C\n0.589531 0.589529 0.589536 C\n0.172602 0.172602 0.172604 C\n0.827397 0.827393 0.827403 C\n0.553418 0.553416 0.553423 C\n0.208140 0.208139 0.208141 C\n0.731855 0.731853 0.731861 C\n0.268143 0.268142 0.268146 C\n0.446580 0.446579 0.446584 C\n0.017782 0.017782 0.017782 C\n0.791859 0.791856 0.791865 C\n0.696315 0.696312 0.696321 C\n0.982217 0.982213 0.982225 C\n","nsites":14,"nelements":1,"elements":["C"],"chemical_system":"C","density":3.497945017623425,"density_atomic":0.17538625787130308,"volume":79.82381384904785,"volume_molar":3.4336445928500257,"formula_full":"C14","formula_reduced":"C","formula_anonymous":"A","energy_above_hull":0.1081700000000003,"spacegroup":166},{"id":"jvasp-37133","created_at":"2022-09-04T14:38:08.852224Z","updated_at":"2022-09-04T14:38:08.852245Z","structure_string":"Ni2 Bi2\n1.0\n4.175625 -0.000000 0.000000\n-2.087812 3.616759 -0.000000\n-0.000000 -0.000000 5.285419\nNi Bi\n2 2\ndirect\n0.000000 0.000000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.333323 0.666646 0.250000 Bi\n0.666676 0.333354 0.750000 Bi\n","nsites":4,"nelements":2,"elements":["Ni","Bi"],"chemical_system":"Bi-Ni","density":11.136903998305455,"density_atomic":0.05011174312284543,"volume":79.82160968127332,"volume_molar":12.017424229760167,"formula_full":"Ni2 Bi2","formula_reduced":"NiBi","formula_anonymous":"AB","energy_above_hull":0.63301335,"spacegroup":194},{"id":"jvasp-102782","created_at":"2022-09-04T14:38:46.946451Z","updated_at":"2022-09-04T14:38:46.946482Z","structure_string":"Ce1 Cu1 Si2 Ni1\n1.0\n3.784155 -0.009091 -4.156086\n-0.573553 3.740447 -4.156086\n0.007822 0.009091 5.620749\nCe Cu Si Ni\n1 1 2 1\ndirect\n0.000000 0.000000 0.000000 Ce\n0.250000 0.750000 0.500000 Cu\n0.624302 0.624303 -0.000001 Si\n0.375697 0.375698 -0.000000 Si\n0.749999 0.250000 0.499999 Ni\n","nsites":5,"nelements":4,"elements":["Ce","Cu","Si","Ni"],"chemical_system":"Ce-Cu-Ni-Si","density":6.626832544107867,"density_atomic":0.06264428692152006,"volume":79.81573812571183,"volume_molar":9.613232197126704,"formula_full":"Ce1 Cu1 Si2 Ni1","formula_reduced":"CeCuSi2Ni","formula_anonymous":"ABCD2","energy_above_hull":1.7956151099999995,"spacegroup":119},{"id":"jvasp-110306","created_at":"2022-09-04T14:37:54.270171Z","updated_at":"2022-09-04T14:37:54.270196Z","structure_string":"Ba1 Mg2 N2\n1.0\n3.700504 0.000000 -0.000005\n-1.850252 3.204730 -0.000000\n0.000000 0.000000 6.730306\nBa Mg N\n1 2 2\ndirect\n-0.000000 -0.000000 0.500000 Ba\n0.666666 0.333333 0.122654 Mg\n0.333333 0.666667 0.877348 Mg\n0.666666 0.333333 0.795103 N\n0.333333 0.666667 0.204898 N\n","nsites":5,"nelements":3,"elements":["Ba","Mg","N"],"chemical_system":"Ba-Mg-N","density":4.451179068535438,"density_atomic":0.06264448888141726,"volume":79.81548080733388,"volume_molar":9.613201204976862,"formula_full":"Ba1 Mg2 N2","formula_reduced":"BaMg2N2","formula_anonymous":"AB2C2","energy_above_hull":1.620376114,"spacegroup":164},{"id":"jvasp-61699","created_at":"2022-09-04T14:35:48.462092Z","updated_at":"2022-09-04T14:35:48.462108Z","structure_string":"Y1 B2 Rh3\n1.0\n4.680495 2.702227 -0.021256\n-4.680495 2.702227 -0.021256\n0.000000 0.024831 3.155052\nY B Rh\n1 2 3\ndirect\n0.500000 0.500000 0.499998 Y\n0.166675 0.833326 0.499998 B\n0.833326 0.166675 0.499998 B\n0.000000 0.000000 0.000000 Rh\n0.500001 0.000000 -0.000001 Rh\n0.000000 0.500001 -0.000001 Rh\n","nsites":6,"nelements":3,"elements":["Y","B","Rh"],"chemical_system":"B-Rh-Y","density":8.722466269029807,"density_atomic":0.07517513783730474,"volume":79.81362153249785,"volume_molar":8.010814390567816,"formula_full":"Y1 B2 Rh3","formula_reduced":"YB2Rh3","formula_anonymous":"AB2C3","energy_above_hull":3.680628269444445,"spacegroup":191}]}