{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-id&page=47","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-id&page=45","results":[{"id":"jvasp-99412","created_at":"2022-09-04T14:36:36.151892Z","updated_at":"2022-09-04T14:36:36.151916Z","structure_string":"K2 Rb1 Tl1 Br6\n1.0\n7.215757 -0.000000 4.166019\n2.405252 6.803081 4.166019\n-0.000000 -0.000000 8.332039\nK Rb Tl Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Tl\n0.766522 0.233478 0.233478 Br\n0.233478 0.233478 0.766522 Br\n0.233478 0.766522 0.766522 Br\n0.233478 0.766522 0.233478 Br\n0.766522 0.233478 0.766522 Br\n0.766522 0.766522 0.233478 Br\n","nsites":10,"nelements":4,"elements":["K","Rb","Tl","Br"],"chemical_system":"Br-K-Rb-Tl","density":3.4406101538660816,"density_atomic":0.02444900361159805,"volume":409.0146232076398,"volume_molar":24.631436338547694,"formula_full":"K2 Rb1 Tl1 Br6","formula_reduced":"K2RbTlBr6","formula_anonymous":"ABC2D6","energy_above_hull":0.0,"spacegroup":225},{"id":"jvasp-99411","created_at":"2022-09-04T14:36:37.144941Z","updated_at":"2022-09-04T14:36:37.144980Z","structure_string":"Rb1 Pr1 O2\n1.0\n3.552879 -0.001774 5.908682\n1.638296 3.152609 5.908682\n-0.002923 -0.001774 6.894597\nRb Pr O\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500002 0.499998 Pr\n0.228260 0.228261 0.228259 O\n0.771741 0.771742 0.771737 O\n","nsites":4,"nelements":3,"elements":["Rb","Pr","O"],"chemical_system":"O-Pr-Rb","density":5.5489052561528585,"density_atomic":0.05173315611444147,"volume":77.31985249752407,"volume_molar":11.640775882063188,"formula_full":"Rb1 Pr1 O2","formula_reduced":"RbPrO2","formula_anonymous":"ABC2","energy_above_hull":0.6980092124999999,"spacegroup":166},{"id":"jvasp-99410","created_at":"2022-09-04T14:36:36.657910Z","updated_at":"2022-09-04T14:36:36.657930Z","structure_string":"Y4 S3 N2\n1.0\n5.216727 -0.003242 4.255298\n1.409635 3.563312 0.000000\n0.011325 -0.004480 10.271103\nY S N\n4 3 2\ndirect\n0.221589 0.889205 0.648717 Y\n0.778411 0.110795 0.351283 Y\n0.582743 0.708628 0.144506 Y\n0.417257 0.291372 0.855494 Y\n0.000000 0.000000 0.000000 S\n0.781098 0.609452 0.782508 S\n0.218903 0.390548 0.217492 S\n0.564658 0.717672 0.360881 N\n0.435343 0.282328 0.639119 N\n","nsites":9,"nelements":3,"elements":["Y","S","N"],"chemical_system":"N-S-Y","density":4.176516263243923,"density_atomic":0.04717572272020814,"volume":190.77609162190473,"volume_molar":12.765338637664076,"formula_full":"Y4 S3 N2","formula_reduced":"Y4S3N2","formula_anonymous":"A2B3C4","energy_above_hull":3.393676477777777,"spacegroup":12},{"id":"jvasp-99409","created_at":"2022-09-04T14:36:36.280458Z","updated_at":"2022-09-04T14:36:36.280469Z","structure_string":"Ba4 Ca2 N4\n1.0\n3.649375 -0.000000 0.000000\n0.000000 5.945102 0.000000\n-0.000000 -0.000000 11.294711\nBa Ca N\n4 2 4\ndirect\n0.228611 0.250000 0.931976 Ba\n0.228611 0.250000 0.568024 Ba\n0.771390 0.750000 0.068024 Ba\n0.771390 0.750000 0.431976 Ba\n0.224690 0.250000 0.250000 Ca\n0.775312 0.750000 0.750000 Ca\n0.710407 0.250000 0.403112 N\n0.710407 0.250000 0.096888 N\n0.289595 0.750000 0.596888 N\n0.289595 0.750000 0.903112 N\n","nsites":10,"nelements":3,"elements":["Ba","Ca","N"],"chemical_system":"Ba-Ca-N","density":4.645129244173577,"density_atomic":0.040808165720783975,"volume":245.0489950570581,"volume_molar":14.757195413301483,"formula_full":"Ba4 Ca2 N4","formula_reduced":"Ba2CaN2","formula_anonymous":"AB2C2","energy_above_hull":1.882243772,"spacegroup":59},{"id":"jvasp-99408","created_at":"2022-09-04T14:36:36.549659Z","updated_at":"2022-09-04T14:36:36.549696Z","structure_string":"Ce1 Th1\n1.0\n3.334670 -0.011611 5.009016\n1.506229 2.975136 5.009016\n-0.018967 -0.011611 6.017467\nCe Th\n1 1\ndirect\n0.000000 0.000000 0.000000 Ce\n0.499999 0.500001 0.500001 Th\n","nsites":2,"nelements":2,"elements":["Ce","Th"],"chemical_system":"Ce-Th","density":10.26620460943434,"density_atomic":0.03322523432921282,"volume":60.195211271738955,"volume_molar":18.12520176781753,"formula_full":"Ce1 Th1","formula_reduced":"CeTh","formula_anonymous":"AB","energy_above_hull":1.8567255500000004,"spacegroup":166},{"id":"jvasp-99407","created_at":"2022-09-04T14:36:35.792803Z","updated_at":"2022-09-04T14:36:35.792825Z","structure_string":"Ga3 Co4 Ge1\n1.0\n4.638880 0.001562 -0.053179\n-0.053809 4.638569 -0.053179\n0.001543 0.001562 4.639185\nGa Co Ge\n3 4 1\ndirect\n0.342342 0.162252 0.653544 Ga\n0.162252 0.653544 0.342342 Ga\n0.653543 0.342342 0.162252 Ga\n0.135836 0.135836 0.135837 Co\n0.644911 0.861417 0.360152 Co\n0.861416 0.360151 0.644912 Co\n0.360151 0.644911 0.861418 Co\n0.839544 0.839545 0.839546 Ge\n","nsites":8,"nelements":3,"elements":["Ga","Co","Ge"],"chemical_system":"Co-Ga-Ge","density":8.608958497009537,"density_atomic":0.08013940035358037,"volume":99.82605266202975,"volume_molar":7.514581758073948,"formula_full":"Ga3 Co4 Ge1","formula_reduced":"Ga3Co4Ge","formula_anonymous":"AB3C4","energy_above_hull":1.813668315625,"spacegroup":146},{"id":"jvasp-99406","created_at":"2022-09-04T14:36:34.958679Z","updated_at":"2022-09-04T14:36:34.958715Z","structure_string":"Hf2 Al3 Ag1\n1.0\n4.599333 -0.012375 2.562719\n1.500061 4.347854 2.562719\n-0.017410 -0.012375 5.265082\nHf Al Ag\n2 3 1\ndirect\n0.622998 0.622996 0.622998 Hf\n0.377003 0.377001 0.377003 Hf\n0.000000 0.500000 0.000000 Al\n0.500000 -0.000001 0.000000 Al\n0.000000 -0.000001 0.500000 Al\n0.000000 0.000000 0.000000 Ag\n","nsites":6,"nelements":3,"elements":["Hf","Al","Ag"],"chemical_system":"Ag-Al-Hf","density":8.576180540937568,"density_atomic":0.0567764524450676,"volume":105.67761354595244,"volume_molar":10.606757732576806,"formula_full":"Hf2 Al3 Ag1","formula_reduced":"Hf2Al3Ag","formula_anonymous":"AB2C3","energy_above_hull":2.855863610000001,"spacegroup":166},{"id":"jvasp-99405","created_at":"2022-09-04T14:36:44.732306Z","updated_at":"2022-09-04T14:36:44.732325Z","structure_string":"La1 Mn2 Cd1 O6\n1.0\n4.699746 0.000335 2.681263\n1.557393 4.434202 2.681263\n0.000473 0.000335 5.410803\nLa Mn Cd O\n1 2 1 6\ndirect\n0.499999 0.500001 0.499999 La\n0.249515 0.249516 0.249515 Mn\n0.750484 0.750486 0.750483 Mn\n0.000000 0.000000 0.000000 Cd\n0.579083 0.420917 -0.000001 O\n-0.000001 0.579083 0.420917 O\n0.420916 0.000001 0.579082 O\n0.500000 0.942038 0.057961 O\n0.057961 0.500001 0.942037 O\n0.942038 0.057964 0.499999 O\n","nsites":10,"nelements":4,"elements":["La","Mn","Cd","O"],"chemical_system":"Cd-La-Mn-O","density":6.733434710141175,"density_atomic":0.08869350571534594,"volume":112.7478265668529,"volume_molar":6.7898328196965565,"formula_full":"La1 Mn2 Cd1 O6","formula_reduced":"LaMn2CdO6","formula_anonymous":"ABC2D6","energy_above_hull":2.522830023275862,"spacegroup":155},{"id":"jvasp-99404","created_at":"2022-09-04T14:36:43.687090Z","updated_at":"2022-09-04T14:36:43.687122Z","structure_string":"Mn2 In1 Cu4 Sn1\n1.0\n4.200168 0.001092 6.341253\n1.910443 3.740537 6.341253\n0.001783 0.001092 7.606109\nMn In Cu Sn\n2 1 4 1\ndirect\n0.250858 0.250858 0.250858 Mn\n0.749141 0.749142 0.749142 Mn\n0.000000 0.000000 0.000000 In\n0.625206 0.625206 0.625207 Cu\n0.124617 0.124617 0.124617 Cu\n0.875382 0.875383 0.875383 Cu\n0.374793 0.374793 0.374794 Cu\n0.500000 0.500000 0.500000 Sn\n","nsites":8,"nelements":4,"elements":["Mn","In","Cu","Sn"],"chemical_system":"Cu-In-Mn-Sn","density":8.309155813009347,"density_atomic":0.06698782222384238,"volume":119.42469145015184,"volume_molar":8.989903776654787,"formula_full":"Mn2 In1 Cu4 Sn1","formula_reduced":"Mn2InCu4Sn","formula_anonymous":"ABC2D4","energy_above_hull":0.9939459940948274,"spacegroup":166},{"id":"jvasp-99403","created_at":"2022-09-04T14:36:34.398161Z","updated_at":"2022-09-04T14:36:34.398183Z","structure_string":"Na1 Bi1 Se2\n1.0\n4.252351 -0.000000 0.000000\n0.000000 4.252351 0.000000\n0.000000 -0.000000 5.818147\nNa Bi Se\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 Bi\n0.000000 0.000000 0.500000 Se\n0.500000 0.500000 -0.000000 Se\n","nsites":4,"nelements":3,"elements":["Na","Bi","Se"],"chemical_system":"Bi-Na-Se","density":6.153872335415861,"density_atomic":0.038020435861912595,"volume":105.20657928614241,"volume_molar":15.839220733481248,"formula_full":"Na1 Bi1 Se2","formula_reduced":"NaBiSe2","formula_anonymous":"ABC2","energy_above_hull":0.5721050083333333,"spacegroup":123},{"id":"jvasp-99402","created_at":"2022-09-04T14:36:40.873141Z","updated_at":"2022-09-04T14:36:40.873168Z","structure_string":"Nb1 Ni6 Mo1\n1.0\n4.247158 -0.000000 0.000000\n0.000000 4.501443 0.000000\n0.000000 -0.000000 5.070651\nNb Ni Mo\n1 6 1\ndirect\n-0.000000 0.344594 -0.000000 Nb\n-0.000000 0.333097 0.500000 Ni\n0.500000 0.679112 -0.000000 Ni\n0.500000 0.157682 0.745202 Ni\n0.500000 0.157682 0.254798 Ni\n-0.000000 0.837941 0.743952 Ni\n-0.000000 0.837941 0.256047 Ni\n0.500000 0.651943 0.500000 Mo\n","nsites":8,"nelements":3,"elements":["Nb","Ni","Mo"],"chemical_system":"Mo-Nb-Ni","density":9.26697331053008,"density_atomic":0.08252320640338157,"volume":96.94242805951106,"volume_molar":7.297511842381866,"formula_full":"Nb1 Ni6 Mo1","formula_reduced":"NbNi6Mo","formula_anonymous":"ABC6","energy_above_hull":2.5503549625,"spacegroup":25},{"id":"jvasp-99401","created_at":"2022-09-04T14:36:33.908166Z","updated_at":"2022-09-04T14:36:33.908202Z","structure_string":"Nb2 Rh4\n1.0\n2.806098 -0.000000 0.000000\n-0.000000 4.727716 1.012815\n-0.000000 -0.006528 6.927384\nNb Rh\n2 4\ndirect\n0.000000 0.234201 0.326901 Nb\n0.000000 0.765799 0.673099 Nb\n0.500000 0.731364 0.333990 Rh\n0.500000 0.268636 0.666010 Rh\n0.500000 0.500000 0.000000 Rh\n0.000000 0.000000 0.000000 Rh\n","nsites":6,"nelements":2,"elements":["Nb","Rh"],"chemical_system":"Nb-Rh","density":10.792658674161137,"density_atomic":0.0652739821160331,"volume":91.92023843947824,"volume_molar":9.225943576255013,"formula_full":"Nb2 Rh4","formula_reduced":"NbRh2","formula_anonymous":"AB2","energy_above_hull":3.2218618,"spacegroup":10}]}