{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-energy_above_hull&page=3402","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-energy_above_hull&page=3400","results":[{"id":"jvasp-37438","created_at":"2022-09-04T14:38:00.491355Z","updated_at":"2022-09-04T14:38:00.491378Z","structure_string":"Y1 Lu1 Tl2\n1.0\n-0.000000 3.744948 3.744948\n3.744948 0.000000 3.744948\n3.744948 3.744948 -0.000000\nY Lu Tl\n1 1 2\ndirect\n0.749999 0.749999 0.749999 Y\n0.250000 0.250000 0.250000 Lu\n0.000000 0.000000 0.000000 Tl\n0.500001 0.500001 0.500001 Tl\n","nsites":4,"nelements":3,"elements":["Y","Lu","Tl"],"chemical_system":"Lu-Tl-Y","density":10.633201931475293,"density_atomic":0.03807962127881562,"volume":105.0430615029586,"volume_molar":15.814602555803845,"formula_full":"Y1 Lu1 Tl2","formula_reduced":"YLuTl2","formula_anonymous":"ABC2","energy_above_hull":0.6573865999999999,"spacegroup":225},{"id":"jvasp-105106","created_at":"2022-09-04T14:36:53.647556Z","updated_at":"2022-09-04T14:36:53.647585Z","structure_string":"Bi4 Se4\n1.0\n7.204379 0.000000 0.000000\n-0.000000 4.272612 4.002686\n-0.000000 0.142102 8.410741\nBi Se\n4 4\ndirect\n0.814108 0.633358 0.866648 Bi\n0.685893 0.633358 0.366648 Bi\n0.185893 0.366641 0.133353 Bi\n0.314108 0.366641 0.633353 Bi\n0.844140 0.215967 0.784052 Se\n0.655860 0.215967 0.284052 Se\n0.155860 0.784032 0.215949 Se\n0.344140 0.784032 0.715949 Se\n","nsites":8,"nelements":2,"elements":["Bi","Se"],"chemical_system":"Bi-Se","density":7.506135282509039,"density_atomic":0.03139747201191148,"volume":254.79758360688984,"volume_molar":19.18033642235699,"formula_full":"Bi4 Se4","formula_reduced":"BiSe","formula_anonymous":"AB","energy_above_hull":0.6573738333333333,"spacegroup":58},{"id":"jvasp-80727","created_at":"2022-09-04T14:36:50.297183Z","updated_at":"2022-09-04T14:36:50.297216Z","structure_string":"In1 Ag1 S2\n1.0\n-1.927427 3.338401 0.000000\n-3.854854 0.000000 -0.000000\n-1.927427 1.112801 6.927100\nIn Ag S\n1 1 2\ndirect\n0.001071 0.001073 0.996784 In\n0.849310 0.849311 0.452069 Ag\n0.732668 0.732669 0.801993 S\n0.257949 0.257949 0.226154 S\n","nsites":4,"nelements":3,"elements":["In","Ag","S"],"chemical_system":"Ag-In-S","density":5.342627336782355,"density_atomic":0.044870622874783134,"volume":89.1451855072857,"volume_molar":13.421121380029664,"formula_full":"In1 Ag1 S2","formula_reduced":"InAgS2","formula_anonymous":"ABC2","energy_above_hull":0.6572968075000001,"spacegroup":160},{"id":"jvasp-48681","created_at":"2022-09-04T14:36:03.075373Z","updated_at":"2022-09-04T14:36:03.075398Z","structure_string":"Na14 Ni2 O9\n1.0\n6.601877 0.010304 -0.003600\n3.292109 5.722794 -0.003688\n0.005292 0.002598 9.272958\nNa Ni O\n14 2 9\ndirect\n0.967088 0.673372 0.092497 Na\n0.032933 0.326629 0.907500 Na\n0.064091 0.622444 0.593619 Na\n0.326537 0.640491 0.907527 Na\n0.640590 0.032888 0.907595 Na\n0.377685 0.686469 0.406364 Na\n0.622329 0.313529 0.593637 Na\n0.313456 0.064133 0.593592 Na\n0.673486 0.359512 0.092474 Na\n0.000047 -0.000080 0.250947 Na\n-0.000031 0.000078 0.749053 Na\n0.935924 0.377551 0.406382 Na\n0.686559 0.935863 0.406408 Na\n0.359427 0.967117 0.092405 Na\n0.666608 0.666739 0.737359 Ni\n0.333408 0.333260 0.262641 Ni\n0.333334 0.333354 0.043302 O\n0.361762 0.696098 0.663077 O\n0.638253 0.303899 0.336922 O\n0.695983 0.942224 0.663102 O\n0.666687 0.666650 0.956698 O\n0.942137 0.361881 0.663083 O\n0.057877 0.638114 0.336917 O\n0.000010 0.000002 -0.000000 O\n0.304032 0.057774 0.336898 O\n","nsites":25,"nelements":3,"elements":["Na","Ni","O"],"chemical_system":"Na-Ni-O","density":2.7668851548524738,"density_atomic":0.07142267402234556,"volume":350.0288996765706,"volume_molar":8.431693215680905,"formula_full":"Na14 Ni2 O9","formula_reduced":"Na14Ni2O9","formula_anonymous":"A2B9C14","energy_above_hull":0.657254092,"spacegroup":147},{"id":"jvasp-8458","created_at":"2022-09-04T14:37:08.289764Z","updated_at":"2022-09-04T14:37:08.289790Z","structure_string":"In1 Cu1 O2\n1.0\n3.205510 -0.005650 5.252212\n1.471870 2.847617 5.252212\n-0.009299 -0.005650 6.153124\nIn Cu O\n1 1 2\ndirect\n0.500000 0.500001 0.499999 In\n0.000000 0.000000 0.000000 Cu\n0.894562 0.894564 0.894561 O\n0.105437 0.105438 0.105437 O\n","nsites":4,"nelements":3,"elements":["In","Cu","O"],"chemical_system":"Cu-In-O","density":6.192652190221298,"density_atomic":0.07091182125380081,"volume":56.408084424789806,"volume_molar":8.492435610201197,"formula_full":"In1 Cu1 O2","formula_reduced":"InCuO2","formula_anonymous":"ABC2","energy_above_hull":0.657244355,"spacegroup":166},{"id":"jvasp-12848","created_at":"2022-09-04T14:37:51.259919Z","updated_at":"2022-09-04T14:37:51.259948Z","structure_string":"In2 Cu2 O4\n1.0\n3.339488 0.000000 -0.000000\n-1.669744 2.892082 -0.000000\n-0.000000 0.000000 11.687094\nIn Cu O\n2 2 4\ndirect\n0.000000 0.000000 0.000000 In\n0.000000 0.000000 0.500000 In\n0.666668 0.333333 0.750000 Cu\n0.333334 0.666667 0.250000 Cu\n0.333334 0.666667 0.091827 O\n0.666668 0.333333 0.591826 O\n0.333334 0.666667 0.408173 O\n0.666668 0.333333 0.908173 O\n","nsites":8,"nelements":3,"elements":["In","Cu","O"],"chemical_system":"Cu-In-O","density":6.189435038089901,"density_atomic":0.07087498176889512,"volume":112.87480857611956,"volume_molar":8.49684981879309,"formula_full":"In2 Cu2 O4","formula_reduced":"InCuO2","formula_anonymous":"ABC2","energy_above_hull":0.657226855,"spacegroup":194},{"id":"jvasp-78419","created_at":"2022-09-04T14:37:08.854184Z","updated_at":"2022-09-04T14:37:08.854205Z","structure_string":"Ga1 As1\n1.0\n-2.722876 0.000000 0.000000\n0.000000 0.000000 -2.727094\n0.000000 -5.499853 0.000000\nGa As\n1 1\ndirect\n0.000000 0.824644 0.500000 Ga\n0.000000 0.825353 0.000000 As\n","nsites":2,"nelements":2,"elements":["Ga","As"],"chemical_system":"As-Ga","density":5.881285586463628,"density_atomic":0.0489723496952984,"volume":40.839371858688054,"volume_molar":12.297022294150114,"formula_full":"Ga1 As1","formula_reduced":"GaAs","formula_anonymous":"AB","energy_above_hull":0.6571720375000001,"spacegroup":123},{"id":"jvasp-26404","created_at":"2022-09-04T14:37:41.146082Z","updated_at":"2022-09-04T14:37:41.146102Z","structure_string":"Sr2 Bi2 Br2 O4\n1.0\n0.000000 5.821195 0.000064\n5.724296 0.000000 0.000000\n0.000000 -2.910537 -6.413681\nSr Bi Br O\n2 2 2 4\ndirect\n0.603686 0.750001 0.207356 Sr\n0.396315 0.250000 0.792644 Sr\n0.080608 0.250000 0.161230 Bi\n0.919393 0.750001 0.838770 Bi\n0.254910 0.750001 0.509858 Br\n0.745090 0.250000 0.490142 Br\n0.764853 0.000000 0.999990 O\n0.235148 0.500001 0.000011 O\n0.235148 -0.000000 0.000011 O\n0.764853 0.500000 0.999990 O\n","nsites":10,"nelements":4,"elements":["Sr","Bi","Br","O"],"chemical_system":"Bi-Br-O-Sr","density":6.34797396601904,"density_atomic":0.046790811892529885,"volume":213.71717214414252,"volume_molar":12.870348934811773,"formula_full":"Sr2 Bi2 Br2 O4","formula_reduced":"SrBiBrO2","formula_anonymous":"ABCD2","energy_above_hull":0.657156343,"spacegroup":63},{"id":"jvasp-40798","created_at":"2022-09-04T14:37:52.677698Z","updated_at":"2022-09-04T14:37:52.677725Z","structure_string":"Li1 Mg1 P1\n1.0\n3.682648 0.000000 2.126178\n1.227548 3.472034 2.126178\n0.000000 0.000000 4.252355\nLi Mg P\n1 1 1\ndirect\n0.500001 0.499999 0.500001 Li\n0.250000 0.250000 0.250001 Mg\n0.000000 0.000000 0.000000 P\n","nsites":3,"nelements":3,"elements":["Li","Mg","P"],"chemical_system":"Li-Mg-P","density":1.9002194124926068,"density_atomic":0.055175663228362586,"volume":54.3717977178365,"volume_molar":10.91448730770194,"formula_full":"Li1 Mg1 P1","formula_reduced":"LiMgP","formula_anonymous":"ABC","energy_above_hull":0.6570915166666668,"spacegroup":216},{"id":"jvasp-91765","created_at":"2022-09-04T14:36:19.146546Z","updated_at":"2022-09-04T14:36:19.146556Z","structure_string":"Zr2 In6\n1.0\n4.352559 0.000000 -0.000000\n0.000000 4.352559 0.000000\n-2.176280 -2.176280 9.607399\nZr In\n2 6\ndirect\n0.881640 0.881640 0.763279 Zr\n0.118360 0.118360 0.236721 Zr\n0.500000 0.000000 0.000000 In\n0.000000 0.500000 0.000000 In\n0.250000 0.750000 0.500000 In\n0.750000 0.250000 0.500000 In\n0.623995 0.623995 0.247990 In\n0.376005 0.376005 0.752010 In\n","nsites":8,"nelements":2,"elements":["Zr","In"],"chemical_system":"In-Zr","density":7.949678445519714,"density_atomic":0.043953637881372916,"volume":182.00996289752652,"volume_molar":13.701120203641027,"formula_full":"Zr2 In6","formula_reduced":"ZrIn3","formula_anonymous":"AB3","energy_above_hull":0.6569986025000001,"spacegroup":139},{"id":"jvasp-113678","created_at":"2022-09-04T14:38:48.722921Z","updated_at":"2022-09-04T14:38:48.722949Z","structure_string":"Rb1 Al1 O1\n1.0\n4.681483 0.000000 0.000000\n0.000000 4.681483 -0.000000\n0.000000 -0.000000 7.780251\nRb Al O\n1 1 1\ndirect\n0.000000 0.000000 0.702499 Rb\n0.000000 0.000000 0.230278 Al\n0.000000 0.000000 0.017315 O\n","nsites":3,"nelements":3,"elements":["Rb","Al","O"],"chemical_system":"Al-O-Rb","density":1.250888015987411,"density_atomic":0.017593844342843327,"volume":170.51418334392133,"volume_molar":34.228680455784726,"formula_full":"Rb1 Al1 O1","formula_reduced":"RbAlO","formula_anonymous":"ABC","energy_above_hull":0.6569054333333334,"spacegroup":99},{"id":"jvasp-55014","created_at":"2022-09-04T14:37:31.172733Z","updated_at":"2022-09-04T14:37:31.172767Z","structure_string":"Li8 Zn4 Si4\n1.0\n2.114956 -3.663212 0.000000\n2.114956 3.663212 -0.000000\n0.000000 -0.000000 16.338976\nLi Zn Si\n8 4 4\ndirect\n0.666668 0.333334 0.791259 Li\n0.333334 0.666668 0.208741 Li\n0.666668 0.333334 0.458751 Li\n0.666668 0.333334 0.291280 Li\n0.333334 0.666668 0.041264 Li\n0.666668 0.333334 0.958737 Li\n0.333334 0.666668 0.708720 Li\n0.333334 0.666668 0.541249 Li\n0.000000 0.000000 0.875011 Zn\n0.000000 0.000000 0.375052 Zn\n0.000000 0.000000 0.624949 Zn\n0.000000 0.000000 0.124990 Zn\n0.333334 0.666668 0.874988 Si\n0.666668 0.333334 0.624988 Si\n0.333334 0.666668 0.375012 Si\n0.666668 0.333334 0.125012 Si\n","nsites":16,"nelements":3,"elements":["Li","Zn","Si"],"chemical_system":"Li-Si-Zn","density":2.817086044674929,"density_atomic":0.06319777120664866,"volume":253.17348530665805,"volume_molar":9.529039782603041,"formula_full":"Li8 Zn4 Si4","formula_reduced":"Li2ZnSi","formula_anonymous":"ABC2","energy_above_hull":0.6568297499999998,"spacegroup":194}]}