{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-id&page=540","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-id&page=538","results":[{"id":"jvasp-86381","created_at":"2022-09-04T14:36:08.182044Z","updated_at":"2022-09-04T14:36:08.182064Z","structure_string":"Ca2 Si4\n1.0\n-1.946080 -3.370710 -0.000000\n1.946080 -3.370710 -0.000000\n0.000000 -2.247141 10.098305\nCa Si\n2 4\ndirect\n0.080270 0.080270 0.759189 Ca\n0.919730 0.919730 0.240811 Ca\n0.182997 0.182997 0.451009 Si\n0.817003 0.817003 0.548991 Si\n0.347514 0.347514 0.957459 Si\n0.652486 0.652486 0.042541 Si\n","nsites":6,"nelements":2,"elements":["Ca","Si"],"chemical_system":"Ca-Si","density":2.4127635373279483,"density_atomic":0.045288787355938276,"volume":132.48312331359605,"volume_molar":13.297200281981887,"formula_full":"Ca2 Si4","formula_reduced":"CaSi2","formula_anonymous":"AB2","energy_above_hull":1.581855873333333,"spacegroup":166},{"id":"jvasp-8638","created_at":"2022-09-04T14:36:44.783186Z","updated_at":"2022-09-04T14:36:44.783198Z","structure_string":"Co1 O2\n1.0\n2.609862 -0.058997 3.842535\n1.137970 2.349480 3.842545\n-0.096574 -0.059007 4.644068\nCo O\n1 2\ndirect\n0.499990 0.500002 0.500006 Co\n0.762113 0.762091 0.762095 O\n0.237901 0.237900 0.237905 O\n","nsites":3,"nelements":2,"elements":["Co","O"],"chemical_system":"Co-O","density":5.030544387035128,"density_atomic":0.09994715196325335,"volume":30.015862794199304,"volume_molar":6.025325025983837,"formula_full":"Co1 O2","formula_reduced":"CoO2","formula_anonymous":"AB2","energy_above_hull":2.069005966666668,"spacegroup":166},{"id":"jvasp-86379","created_at":"2022-09-04T14:36:03.906458Z","updated_at":"2022-09-04T14:36:03.906480Z","structure_string":"Mg3 Sb2\n1.0\n4.581611 0.000000 -0.000000\n-2.290806 3.967792 0.000000\n0.000000 -0.000000 7.286212\nMg Sb\n3 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.333332 0.666667 0.367754 Mg\n0.666666 0.333333 0.632245 Mg\n0.333332 0.666667 0.772907 Sb\n0.666666 0.333333 0.227093 Sb\n","nsites":5,"nelements":2,"elements":["Mg","Sb"],"chemical_system":"Mg-Sb","density":3.967022808421784,"density_atomic":0.03774862097856173,"volume":132.4551697620851,"volume_molar":15.953273533939445,"formula_full":"Mg3 Sb2","formula_reduced":"Mg3Sb2","formula_anonymous":"A2B3","energy_above_hull":0.4957019171428574,"spacegroup":164},{"id":"jvasp-86377","created_at":"2022-09-04T14:35:58.603615Z","updated_at":"2022-09-04T14:35:58.603635Z","structure_string":"Ce7 O12\n1.0\n6.679356 -0.017567 -1.117982\n-1.317814 6.548089 -1.117983\n-0.014423 -0.017567 6.772257\nCe O\n7 12\ndirect\n0.000000 0.000000 0.000000 Ce\n0.138827 0.600910 0.299492 Ce\n0.299492 0.138826 0.600910 Ce\n0.399091 0.700508 0.861175 Ce\n0.861175 0.399089 0.700509 Ce\n0.700509 0.861173 0.399091 Ce\n0.600910 0.299492 0.138827 Ce\n0.566231 0.417885 0.822316 O\n0.417886 0.822315 0.566231 O\n0.932094 0.072310 0.678398 O\n0.582115 0.177684 0.433770 O\n0.822316 0.566230 0.417886 O\n0.321603 0.067906 0.927690 O\n0.927690 0.321602 0.067907 O\n0.067908 0.927689 0.321603 O\n0.678399 0.932093 0.072311 O\n0.072311 0.678397 0.932094 O\n0.433770 0.582115 0.177685 O\n0.177685 0.433769 0.582115 O\n","nsites":19,"nelements":2,"elements":["Ce","O"],"chemical_system":"Ce-O","density":6.584276511871063,"density_atomic":0.06423723363411274,"volume":295.7786150664835,"volume_molar":9.374844493306425,"formula_full":"Ce7 O12","formula_reduced":"Ce7O12","formula_anonymous":"A7B12","energy_above_hull":2.754658289473684,"spacegroup":148},{"id":"jvasp-86375","created_at":"2022-09-04T14:35:51.297199Z","updated_at":"2022-09-04T14:35:51.297229Z","structure_string":"La1 Cu5\n1.0\n5.212220 -0.000000 -0.000000\n-2.606110 4.513915 0.000000\n-0.000000 -0.000000 4.107777\nLa Cu\n1 5\ndirect\n0.000000 0.000000 0.000000 La\n0.000000 0.500001 0.500000 Cu\n0.333333 0.666668 0.000000 Cu\n0.666667 0.333333 0.000000 Cu\n0.500000 0.000000 0.500000 Cu\n0.500000 0.500001 0.500000 Cu\n","nsites":6,"nelements":2,"elements":["La","Cu"],"chemical_system":"Cu-La","density":7.845773504115673,"density_atomic":0.062082368365984845,"volume":96.6457974771372,"volume_molar":9.700243271162886,"formula_full":"La1 Cu5","formula_reduced":"LaCu5","formula_anonymous":"AB5","energy_above_hull":0.0,"spacegroup":191},{"id":"jvasp-86373","created_at":"2022-09-04T14:38:13.203035Z","updated_at":"2022-09-04T14:38:13.203062Z","structure_string":"Te2 O6\n1.0\n4.391316 0.003018 2.921497\n1.566892 4.102256 2.921497\n0.004381 0.003018 5.274351\nTe O\n2 6\ndirect\n0.000000 0.000000 0.000000 Te\n0.500000 0.500001 0.500000 Te\n0.894358 0.605643 0.250000 O\n0.249999 0.894359 0.605642 O\n0.605642 0.250001 0.894358 O\n0.105641 0.394359 0.750000 O\n0.750000 0.105642 0.394358 O\n0.394358 0.750001 0.105642 O\n","nsites":8,"nelements":2,"elements":["Te","O"],"chemical_system":"O-Te","density":6.144415539232735,"density_atomic":0.08428909926862148,"volume":94.91144251648423,"volume_molar":7.144625832111458,"formula_full":"Te2 O6","formula_reduced":"TeO3","formula_anonymous":"AB3","energy_above_hull":1.810609566666667,"spacegroup":167},{"id":"jvasp-86371","created_at":"2022-09-04T14:35:53.864086Z","updated_at":"2022-09-04T14:35:53.864103Z","structure_string":"Al5 Cu5\n1.0\n3.885560 -0.000000 1.321915\n1.273200 5.713218 2.629084\n-0.012093 -0.005534 6.407001\nAl Cu\n5 5\ndirect\n0.500000 0.500001 0.500000 Al\n0.844594 0.461469 0.849344 Al\n0.155407 0.538532 0.150656 Al\n0.622010 0.995889 0.760091 Al\n0.377990 0.004112 0.239908 Al\n0.000000 0.000000 0.000000 Cu\n0.741941 0.244082 0.272037 Cu\n0.258060 0.755919 0.727962 Cu\n0.891032 0.772657 0.445279 Cu\n0.108969 0.227344 0.554720 Cu\n","nsites":10,"nelements":2,"elements":["Al","Cu"],"chemical_system":"Al-Cu","density":5.279438742420252,"density_atomic":0.0702405560635431,"volume":142.36789342831375,"volume_molar":8.573594939299845,"formula_full":"Al5 Cu5","formula_reduced":"AlCu","formula_anonymous":"AB","energy_above_hull":0.3094116250000001,"spacegroup":12},{"id":"jvasp-8637","created_at":"2022-09-04T14:36:43.971627Z","updated_at":"2022-09-04T14:36:43.971652Z","structure_string":"Ce1 V1 O3\n1.0\n3.852766 -0.000000 0.000000\n-0.000000 3.852766 0.000000\n0.000000 -0.000000 3.852766\nCe V O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ce\n0.500001 0.500001 0.500001 V\n0.000000 0.500001 0.500001 O\n0.500001 0.000000 0.500001 O\n0.500001 0.500001 0.000000 O\n","nsites":5,"nelements":3,"elements":["Ce","V","O"],"chemical_system":"Ce-O-V","density":6.941131989052564,"density_atomic":0.08742831458580295,"volume":57.189710492393786,"volume_molar":6.888089732176886,"formula_full":"Ce1 V1 O3","formula_reduced":"CeVO3","formula_anonymous":"ABC3","energy_above_hull":2.33060604,"spacegroup":221},{"id":"jvasp-86369","created_at":"2022-09-04T14:35:45.633946Z","updated_at":"2022-09-04T14:35:45.633975Z","structure_string":"La1 Zn5\n1.0\n5.478266 -0.000000 0.000000\n-2.739133 4.744317 0.000000\n0.000000 -0.000000 4.260974\nLa Zn\n1 5\ndirect\n0.000000 0.000000 0.000000 La\n0.000000 0.500000 0.500000 Zn\n0.333334 0.666667 0.000000 Zn\n0.666668 0.333333 0.000000 Zn\n0.500000 0.000000 0.500000 Zn\n0.500001 0.500000 0.500000 Zn\n","nsites":6,"nelements":2,"elements":["La","Zn"],"chemical_system":"La-Zn","density":6.986556123246053,"density_atomic":0.054178322107541844,"volume":110.74540086513265,"volume_molar":11.115406542207577,"formula_full":"La1 Zn5","formula_reduced":"LaZn5","formula_anonymous":"AB5","energy_above_hull":4.000000000001225e-05,"spacegroup":191},{"id":"jvasp-86367","created_at":"2022-09-04T14:36:17.208903Z","updated_at":"2022-09-04T14:36:17.208921Z","structure_string":"Ni4 S8\n1.0\n5.633267 -0.000000 0.000000\n0.000000 5.633267 0.000000\n0.000000 -0.000000 5.633267\nNi S\n4 8\ndirect\n0.000000 0.500000 0.500000 Ni\n0.500000 0.500000 0.000000 Ni\n0.500000 0.000000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.393186 0.106814 0.893186 S\n0.106814 0.893186 0.393186 S\n0.893186 0.393186 0.106814 S\n0.606814 0.606814 0.606814 S\n0.393186 0.393186 0.393186 S\n0.106814 0.606814 0.893186 S\n0.893186 0.106814 0.606814 S\n0.606814 0.893186 0.106814 S\n","nsites":12,"nelements":2,"elements":["Ni","S"],"chemical_system":"Ni-S","density":4.563617073018967,"density_atomic":0.06712746365421458,"volume":178.76438862362085,"volume_molar":8.971202593056562,"formula_full":"Ni4 S8","formula_reduced":"NiS2","formula_anonymous":"AB2","energy_above_hull":1.3167741333333334,"spacegroup":205},{"id":"jvasp-86364","created_at":"2022-09-04T14:36:12.898067Z","updated_at":"2022-09-04T14:36:12.898094Z","structure_string":"Ga4 Pd8\n1.0\n4.084069 0.000000 0.000000\n-0.000000 5.603906 0.000000\n0.000000 0.000000 7.870269\nGa Pd\n4 8\ndirect\n0.750000 0.706928 0.891539 Ga\n0.250000 0.293072 0.108461 Ga\n0.750000 0.206928 0.608461 Ga\n0.250000 0.793073 0.391539 Ga\n0.750000 0.662579 0.566526 Pd\n0.250000 0.337421 0.433474 Pd\n0.750000 0.162579 0.933474 Pd\n0.250000 0.837422 0.066526 Pd\n0.750000 0.541231 0.206091 Pd\n0.250000 0.458769 0.793909 Pd\n0.750000 0.041231 0.293909 Pd\n0.250000 0.958770 0.706091 Pd\n","nsites":12,"nelements":2,"elements":["Ga","Pd"],"chemical_system":"Ga-Pd","density":10.419596292184352,"density_atomic":0.06662047991661263,"volume":180.1247906802853,"volume_molar":9.039473698685118,"formula_full":"Ga4 Pd8","formula_reduced":"GaPd2","formula_anonymous":"AB2","energy_above_hull":0.6538812416666667,"spacegroup":62},{"id":"jvasp-86362","created_at":"2022-09-04T14:36:05.928841Z","updated_at":"2022-09-04T14:36:05.928859Z","structure_string":"Eu2 Pd4\n1.0\n4.728291 0.000000 2.729880\n1.576096 4.457875 2.729880\n-0.000000 -0.000000 5.459760\nEu Pd\n2 4\ndirect\n0.125000 0.125000 0.125000 Eu\n0.875000 0.875001 0.874999 Eu\n0.500000 -0.000000 0.500000 Pd\n0.000000 0.500001 0.500000 Pd\n0.500000 0.500001 0.500000 Pd\n0.500000 0.500001 -0.000000 Pd\n","nsites":6,"nelements":2,"elements":["Eu","Pd"],"chemical_system":"Eu-Pd","density":10.527689042491636,"density_atomic":0.05213694913978767,"volume":115.08153236801449,"volume_molar":11.550619779944657,"formula_full":"Eu2 Pd4","formula_reduced":"EuPd2","formula_anonymous":"AB2","energy_above_hull":1.1591238,"spacegroup":227}]}