{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-energy_above_hull&page=4397","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-energy_above_hull&page=4395","results":[{"id":"jvasp-59633","created_at":"2022-09-04T14:37:36.640736Z","updated_at":"2022-09-04T14:37:36.640749Z","structure_string":"Ca2 Tb2 F12\n1.0\n5.261054 0.000000 0.000000\n-0.000000 5.261054 0.000000\n0.000000 0.000000 7.918933\nTb Ca F\n2 2 12\ndirect\n0.500000 0.500000 0.750000 Tb\n0.500000 0.500000 0.250000 Tb\n0.000000 0.000000 0.500000 Ca\n0.000000 0.000000 0.000000 Ca\n0.630940 0.286495 0.500000 F\n0.713504 0.630940 0.000000 F\n0.286495 0.369059 0.000000 F\n0.369059 0.713504 0.500000 F\n0.147730 0.289905 0.318710 F\n0.710094 0.147730 0.818710 F\n0.289905 0.852269 0.818710 F\n0.852269 0.710094 0.318710 F\n0.852269 0.710094 0.681290 F\n0.289905 0.852269 0.181290 F\n0.710094 0.147730 0.181290 F\n0.147730 0.289905 0.681290 F\n","nsites":16,"nelements":3,"elements":["Tb","Ca","F"],"chemical_system":"Ca-F-Tb","density":4.742448219754595,"density_atomic":0.0729974678006931,"volume":219.185685230688,"volume_molar":8.2497940564766,"formula_full":"Ca2 Tb2 F12","formula_reduced":"CaTbF6","formula_anonymous":"ABC6","energy_above_hull":0.0,"spacegroup":84},{"id":"jvasp-23698","created_at":"2022-09-04T14:37:36.543687Z","updated_at":"2022-09-04T14:37:36.543726Z","structure_string":"Na30 Pb8\n1.0\n10.779961 0.000000 -3.811292\n-5.389981 9.335720 -3.811292\n-0.000000 -0.000000 11.433876\nNa Pb\n30 8\ndirect\n0.250000 0.625000 0.375000 Na\n0.886600 0.470052 0.161918 Na\n0.029948 0.916548 0.691865 Na\n0.338083 0.808135 0.724683 Na\n0.613400 0.775318 0.583452 Na\n0.775318 0.583452 0.613401 Na\n0.583452 0.613400 0.775318 Na\n0.386600 0.661917 0.970053 Na\n0.191865 0.416548 0.529948 Na\n0.308135 0.838083 0.224683 Na\n0.083452 0.275318 0.113400 Na\n0.275318 0.113400 0.083452 Na\n0.416548 0.529948 0.191865 Na\n0.224682 0.308135 0.838083 Na\n0.661917 0.970052 0.386600 Na\n0.970052 0.386600 0.661918 Na\n0.838083 0.224682 0.308135 Na\n0.375000 0.250000 0.625000 Na\n0.125000 0.750000 0.875000 Na\n0.875000 0.125000 0.750000 Na\n0.529947 0.191865 0.416549 Na\n0.750000 0.875000 0.125000 Na\n0.113400 0.083452 0.275318 Na\n0.625000 0.375000 0.250000 Na\n0.161917 0.886600 0.470053 Na\n0.470052 0.161917 0.886600 Na\n0.724682 0.338083 0.808136 Na\n0.808135 0.724682 0.338083 Na\n0.691865 0.029948 0.916549 Na\n0.916548 0.691865 0.029948 Na\n0.084269 0.500000 0.000000 Pb\n0.415731 0.415731 0.415731 Pb\n0.584269 0.500000 0.000000 Pb\n0.000000 0.584269 0.500000 Pb\n0.500000 -0.000000 0.584269 Pb\n0.000000 0.084269 0.500000 Pb\n0.500000 -0.000000 0.084269 Pb\n0.915731 0.915731 0.915732 Pb\n","nsites":38,"nelements":2,"elements":["Na","Pb"],"chemical_system":"Na-Pb","density":3.3873332894469588,"density_atomic":0.033023652924475344,"volume":1150.6903880956324,"volume_molar":18.23584075866033,"formula_full":"Na30 Pb8","formula_reduced":"Na15Pb4","formula_anonymous":"A4B15","energy_above_hull":0.0,"spacegroup":220},{"id":"jvasp-40085","created_at":"2022-09-04T14:37:40.906018Z","updated_at":"2022-09-04T14:37:40.906047Z","structure_string":"Lu2 Cd1 In1\n1.0\n0.000000 3.654779 3.654779\n3.654779 -0.000000 3.654779\n3.654779 3.654779 0.000000\nLu Cd In\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Lu\n0.499999 0.499999 0.499999 Lu\n0.250000 0.250000 0.250000 Cd\n0.750000 0.750000 0.750000 In\n","nsites":4,"nelements":3,"elements":["Lu","Cd","In"],"chemical_system":"Cd-In-Lu","density":9.815992580168146,"density_atomic":0.04096817643356657,"volume":97.63675975391155,"volume_molar":14.699557764708958,"formula_full":"Lu2 Cd1 In1","formula_reduced":"Lu2CdIn","formula_anonymous":"ABC2","energy_above_hull":0.0,"spacegroup":225},{"id":"jvasp-38049","created_at":"2022-09-04T14:38:00.844259Z","updated_at":"2022-09-04T14:38:00.844292Z","structure_string":"Li1 Tl2 In1 Cl6\n1.0\n-0.000000 5.035304 5.035304\n5.035304 0.000000 5.035304\n5.035304 5.035304 0.000000\nLi Tl In Cl\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 Li\n0.250000 0.250000 0.250000 Tl\n0.749999 0.749999 0.749999 Tl\n0.000000 0.000000 0.000000 In\n0.250783 0.749217 0.749217 Cl\n0.250783 0.749217 0.250783 Cl\n0.749217 0.250783 0.749217 Cl\n0.749217 0.749217 0.250783 Cl\n0.250783 0.250783 0.749217 Cl\n0.749217 0.250783 0.250783 Cl\n","nsites":10,"nelements":4,"elements":["Li","Tl","In","Cl"],"chemical_system":"Cl-In-Li-Tl","density":4.833627659141042,"density_atomic":0.03916452984571415,"volume":255.33307917634355,"volume_molar":15.376517434841658,"formula_full":"Li1 Tl2 In1 Cl6","formula_reduced":"LiTl2InCl6","formula_anonymous":"ABC2D6","energy_above_hull":0.0,"spacegroup":225},{"id":"jvasp-42097","created_at":"2022-09-04T14:37:44.524032Z","updated_at":"2022-09-04T14:37:44.524053Z","structure_string":"Ac1 Ag1 Hg2\n1.0\n-0.000000 3.754834 3.754834\n3.754834 -0.000000 3.754834\n3.754834 3.754834 -0.000000\nAc Ag Hg\n1 1 2\ndirect\n0.250001 0.250001 0.250001 Ac\n0.750000 0.750000 0.750000 Ag\n0.000000 0.000000 0.000000 Hg\n0.499999 0.499999 0.499999 Hg\n","nsites":4,"nelements":3,"elements":["Ac","Ag","Hg"],"chemical_system":"Ac-Ag-Hg","density":11.54391529856232,"density_atomic":0.03777963610181183,"volume":105.87714474592752,"volume_molar":15.940176723171753,"formula_full":"Ac1 Ag1 Hg2","formula_reduced":"AcAgHg2","formula_anonymous":"ABC2","energy_above_hull":0.0,"spacegroup":225},{"id":"jvasp-40472","created_at":"2022-09-04T14:37:44.520149Z","updated_at":"2022-09-04T14:37:44.520162Z","structure_string":"Ba3 Ca1 I8\n1.0\n0.000000 8.146856 0.000000\n8.146856 -0.000000 0.000000\n4.073428 4.073428 -8.136930\nBa Ca I\n3 1 8\ndirect\n0.750000 0.250000 0.500000 Ba\n0.500000 0.500000 0.000000 Ba\n0.250000 0.750000 0.500000 Ba\n0.000000 0.000000 0.000000 Ca\n0.636814 0.120679 0.242506 I\n0.120679 0.120679 0.242506 I\n0.363187 0.363187 0.757494 I\n0.879321 0.363187 0.757494 I\n0.120679 0.636814 0.242506 I\n0.636814 0.636814 0.242506 I\n0.879321 0.879321 0.757494 I\n0.363187 0.879321 0.757494 I\n","nsites":12,"nelements":3,"elements":["Ba","Ca","I"],"chemical_system":"Ba-Ca-I","density":4.511550304543348,"density_atomic":0.022219822544042887,"volume":540.0583184773088,"volume_molar":27.102560103993856,"formula_full":"Ba3 Ca1 I8","formula_reduced":"Ba3CaI8","formula_anonymous":"AB3C8","energy_above_hull":0.0,"spacegroup":139},{"id":"jvasp-41616","created_at":"2022-09-04T14:37:44.498698Z","updated_at":"2022-09-04T14:37:44.498721Z","structure_string":"Y1 Mg1 Zn2\n1.0\n-0.000000 3.406395 3.406395\n3.406395 0.000000 3.406395\n3.406395 3.406395 0.000000\nY Mg Zn\n1 1 2\ndirect\n0.749999 0.749999 0.749999 Y\n0.249999 0.249999 0.249999 Mg\n0.000000 0.000000 0.000000 Zn\n0.499999 0.499999 0.499999 Zn\n","nsites":4,"nelements":3,"elements":["Y","Mg","Zn"],"chemical_system":"Mg-Y-Zn","density":5.12596049961869,"density_atomic":0.05059935441169588,"volume":79.05239200197015,"volume_molar":11.901615801264061,"formula_full":"Y1 Mg1 Zn2","formula_reduced":"YMgZn2","formula_anonymous":"ABC2","energy_above_hull":0.0,"spacegroup":225},{"id":"jvasp-56282","created_at":"2022-09-04T14:37:46.167383Z","updated_at":"2022-09-04T14:37:46.167417Z","structure_string":"Tl2 Hg2 Pd1 Cl8\n1.0\n6.330982 0.012627 1.868810\n2.763475 5.696026 1.868810\n-0.023695 -0.014873 9.771913\nTl Hg Pd Cl\n2 2 1 8\ndirect\n0.397409 0.397409 0.836112 Tl\n0.602592 0.602593 0.163887 Tl\n0.134236 0.134236 0.596767 Hg\n0.865765 0.865766 0.403232 Hg\n0.000000 0.000000 0.000000 Pd\n0.895306 0.380469 0.870562 Cl\n0.380468 0.895307 0.870561 Cl\n0.352878 0.352878 0.494579 Cl\n0.104695 0.619533 0.129438 Cl\n0.914694 0.914695 0.695936 Cl\n0.647123 0.647124 0.505420 Cl\n0.619532 0.104695 0.129438 Cl\n0.085307 0.085307 0.304063 Cl\n","nsites":13,"nelements":4,"elements":["Tl","Hg","Pd","Cl"],"chemical_system":"Cl-Hg-Pd-Tl","density":5.654473567041538,"density_atomic":0.03688999437416294,"volume":352.3990778677092,"volume_molar":16.324591158565735,"formula_full":"Tl2 Hg2 Pd1 Cl8","formula_reduced":"Tl2Hg2PdCl8","formula_anonymous":"AB2C2D8","energy_above_hull":0.0,"spacegroup":12},{"id":"jvasp-39748","created_at":"2022-09-04T14:37:52.951124Z","updated_at":"2022-09-04T14:37:52.951150Z","structure_string":"Yb2 As1 Au1\n1.0\n-0.000000 3.550319 3.550319\n3.550319 0.000000 3.550319\n3.550319 3.550319 0.000000\nYb As Au\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 Yb\n0.250000 0.250000 0.250000 As\n0.750000 0.750000 0.750000 Au\n","nsites":4,"nelements":3,"elements":["Yb","As","Au"],"chemical_system":"As-Au-Yb","density":11.465238079402244,"density_atomic":0.044691801972041666,"volume":89.50187335257422,"volume_molar":13.474821990322377,"formula_full":"Yb2 As1 Au1","formula_reduced":"Yb2AsAu","formula_anonymous":"ABC2","energy_above_hull":0.0,"spacegroup":225},{"id":"jvasp-54438","created_at":"2022-09-04T14:37:44.484658Z","updated_at":"2022-09-04T14:37:44.484675Z","structure_string":"K2 Ag6 Te4\n1.0\n4.075223 -0.000000 -0.000000\n-2.037612 8.717954 -3.831910\n-0.000000 0.026819 10.116082\nK Ag Te\n2 6 4\ndirect\n0.390205 0.780411 0.951232 K\n0.609794 0.219589 0.048767 K\n0.687140 0.374280 0.438692 Ag\n0.267080 0.534159 0.103498 Ag\n0.580496 0.160993 0.596057 Ag\n0.312860 0.625719 0.561308 Ag\n0.419503 0.839007 0.403942 Ag\n0.732920 0.465841 0.896502 Ag\n0.528005 0.056010 0.283632 Te\n0.796751 0.593503 0.314720 Te\n0.471995 0.943989 0.716368 Te\n0.203248 0.406497 0.685280 Te\n","nsites":12,"nelements":3,"elements":["K","Ag","Te"],"chemical_system":"Ag-K-Te","density":5.703156023104368,"density_atomic":0.033350102444165856,"volume":359.8189846669942,"volume_molar":18.057338114874337,"formula_full":"K2 Ag6 Te4","formula_reduced":"KAg3Te2","formula_anonymous":"AB2C3","energy_above_hull":0.0,"spacegroup":12},{"id":"jvasp-40229","created_at":"2022-09-04T14:37:40.740855Z","updated_at":"2022-09-04T14:37:40.740874Z","structure_string":"Li1 Cd2 Rh1\n1.0\n-0.000000 3.235821 3.235821\n3.235821 -0.000000 3.235821\n3.235821 3.235821 -0.000000\nLi Cd Rh\n1 2 1\ndirect\n0.250001 0.250001 0.250001 Li\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Cd\n0.750000 0.750000 0.750000 Rh\n","nsites":4,"nelements":3,"elements":["Li","Cd","Rh"],"chemical_system":"Cd-Li-Rh","density":8.201257943735554,"density_atomic":0.05903050901212573,"volume":67.76157053259259,"volume_molar":10.201742896648518,"formula_full":"Li1 Cd2 Rh1","formula_reduced":"LiCd2Rh","formula_anonymous":"ABC2","energy_above_hull":0.0,"spacegroup":225},{"id":"jvasp-41284","created_at":"2022-09-04T14:37:44.682163Z","updated_at":"2022-09-04T14:37:44.682183Z","structure_string":"Na1 Cd2 Pt1\n1.0\n0.000000 3.370961 3.370961\n3.370961 0.000000 3.370961\n3.370961 3.370961 0.000000\nNa Cd Pt\n1 2 1\ndirect\n0.250000 0.250000 0.250000 Na\n0.500001 0.500001 0.500001 Cd\n0.000000 0.000000 0.000000 Cd\n0.749999 0.749999 0.749999 Pt\n","nsites":4,"nelements":3,"elements":["Na","Cd","Pt"],"chemical_system":"Cd-Na-Pt","density":9.599739530095437,"density_atomic":0.05221181753307826,"volume":76.61100856076962,"volume_molar":11.53405693296299,"formula_full":"Na1 Cd2 Pt1","formula_reduced":"NaCd2Pt","formula_anonymous":"ABC2","energy_above_hull":0.0,"spacegroup":225}]}