{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=energy_above_hull&page=83","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=energy_above_hull&page=81","results":[{"id":"jvasp-69311","created_at":"2022-09-04T14:36:14.445685Z","updated_at":"2022-09-04T14:36:14.445712Z","structure_string":"Ba1 Ca2 Mg1\n1.0\n4.232383 0.000000 0.000000\n0.000000 4.233321 0.000000\n0.000000 0.000000 9.010536\nBa Ca Mg\n1 2 1\ndirect\n0.500000 0.500000 0.717344 Ba\n0.000000 0.000000 0.032846 Ca\n0.500000 0.500000 0.284467 Ca\n0.000000 0.000000 0.465344 Mg\n","nsites":4,"nelements":3,"elements":["Ba","Ca","Mg"],"chemical_system":"Ba-Ca-Mg","density":2.486949988884265,"density_atomic":0.02477668519747403,"volume":161.44209639503342,"volume_molar":24.305675727009493,"formula_full":"Ba1 Ca2 Mg1","formula_reduced":"BaCa2Mg","formula_anonymous":"ABC2","energy_above_hull":0.0,"spacegroup":99},{"id":"jvasp-94336","created_at":"2022-09-04T14:36:04.115971Z","updated_at":"2022-09-04T14:36:04.115996Z","structure_string":"Dy1 In1 Cu4\n1.0\n-3.621049 -3.621049 0.000000\n-3.621049 -0.000000 -3.621049\n-0.000000 -3.621049 -3.621049\nDy In Cu\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Dy\n0.750000 0.750000 0.750000 In\n0.874410 0.375197 0.375197 Cu\n0.375197 0.874410 0.375197 Cu\n0.375197 0.375197 0.874410 Cu\n0.375197 0.375197 0.375197 Cu\n","nsites":6,"nelements":3,"elements":["Dy","In","Cu"],"chemical_system":"Cu-Dy-In","density":9.294388027571781,"density_atomic":0.06318559064625022,"volume":94.95835899661837,"volume_molar":9.53087673693747,"formula_full":"Dy1 In1 Cu4","formula_reduced":"DyInCu4","formula_anonymous":"ABC4","energy_above_hull":0.0,"spacegroup":216},{"id":"jvasp-1420","created_at":"2022-09-04T14:36:20.313327Z","updated_at":"2022-09-04T14:36:20.313348Z","structure_string":"Na2 Te1\n1.0\n4.454749 -0.000000 2.571951\n1.484916 4.199977 2.571951\n-0.000000 -0.000000 5.143901\nNa Te\n2 1\ndirect\n0.250000 0.250000 0.250000 Na\n0.750001 0.750001 0.749999 Na\n0.000000 0.000000 0.000000 Te\n","nsites":3,"nelements":2,"elements":["Na","Te"],"chemical_system":"Na-Te","density":2.994917574497954,"density_atomic":0.031171557467108278,"volume":96.24158187044556,"volume_molar":19.319345099629572,"formula_full":"Na2 Te1","formula_reduced":"Na2Te","formula_anonymous":"AB2","energy_above_hull":0.0,"spacegroup":225},{"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-69222","created_at":"2022-09-04T14:36:10.220884Z","updated_at":"2022-09-04T14:36:10.220911Z","structure_string":"Ba1 Tl2 Cl1\n1.0\n4.085775 0.000000 0.000000\n0.000000 6.013705 0.000000\n0.000000 0.000000 6.035644\nBa Tl Cl\n1 2 1\ndirect\n0.499999 0.500000 0.500000 Ba\n0.000000 0.746453 0.000000 Tl\n0.000000 0.253546 0.000000 Tl\n0.499999 0.000000 0.500000 Cl\n","nsites":4,"nelements":3,"elements":["Ba","Tl","Cl"],"chemical_system":"Ba-Cl-Tl","density":6.511685780980533,"density_atomic":0.026972413472287123,"volume":148.29966936810496,"volume_molar":22.327037089904707,"formula_full":"Ba1 Tl2 Cl1","formula_reduced":"BaTl2Cl","formula_anonymous":"ABC2","energy_above_hull":0.0,"spacegroup":47},{"id":"jvasp-102548","created_at":"2022-09-04T14:36:44.126339Z","updated_at":"2022-09-04T14:36:44.126366Z","structure_string":"Pm1 Ho1 Zn2\n1.0\n4.391079 -0.000000 2.535190\n1.463693 4.139949 2.535190\n0.000000 -0.000000 5.070381\nPm Ho Zn\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Pm\n0.500000 0.500000 0.500000 Ho\n0.250000 0.250000 0.250000 Zn\n0.750000 0.750000 0.750000 Zn\n","nsites":4,"nelements":3,"elements":["Pm","Ho","Zn"],"chemical_system":"Ho-Pm-Zn","density":7.94022715475377,"density_atomic":0.043396345205650326,"volume":92.17366073212978,"volume_molar":13.877068982334254,"formula_full":"Pm1 Ho1 Zn2","formula_reduced":"PmHoZn2","formula_anonymous":"ABC2","energy_above_hull":0.0,"spacegroup":225},{"id":"jvasp-94219","created_at":"2022-09-04T14:35:43.288464Z","updated_at":"2022-09-04T14:35:43.288491Z","structure_string":"K1 Mg6 Cu1\n1.0\n7.730006 -0.850949 0.000000\n-4.601946 6.268906 0.000000\n0.000000 0.000000 4.677923\nK Mg Cu\n1 6 1\ndirect\n0.286878 0.213122 0.750000 K\n0.203342 0.806602 0.250000 Mg\n0.693399 0.296658 0.250000 Mg\n0.692311 0.807689 0.250000 Mg\n0.326834 0.669457 0.750000 Mg\n0.830544 0.173166 0.750000 Mg\n0.864855 0.635146 0.750000 Mg\n0.101839 0.398161 0.250000 Cu\n","nsites":8,"nelements":3,"elements":["K","Mg","Cu"],"chemical_system":"Cu-K-Mg","density":1.9801649048572487,"density_atomic":0.03839377123246413,"volume":208.3671320423856,"volume_molar":15.685202486459406,"formula_full":"K1 Mg6 Cu1","formula_reduced":"KMg6Cu","formula_anonymous":"ABC6","energy_above_hull":0.0,"spacegroup":38},{"id":"jvasp-91879","created_at":"2022-09-04T14:36:06.436307Z","updated_at":"2022-09-04T14:36:06.436326Z","structure_string":"Mg7 Zn1\n1.0\n6.266486 -0.000000 0.000000\n-3.133243 5.426936 -0.000000\n-0.000000 -0.000000 5.071122\nMg Zn\n7 1\ndirect\n0.165826 0.832913 0.250000 Mg\n0.667089 0.334175 0.250000 Mg\n0.667089 0.832913 0.250000 Mg\n0.330350 0.169651 0.750000 Mg\n0.330350 0.660700 0.750000 Mg\n0.839301 0.169651 0.750000 Mg\n0.833334 0.666667 0.750000 Mg\n0.166667 0.333333 0.250000 Zn\n","nsites":8,"nelements":2,"elements":["Mg","Zn"],"chemical_system":"Mg-Zn","density":2.2679752499980563,"density_atomic":0.0463881608545475,"volume":172.45779639948256,"volume_molar":12.982064063463813,"formula_full":"Mg7 Zn1","formula_reduced":"Mg7Zn","formula_anonymous":"AB7","energy_above_hull":0.0,"spacegroup":187},{"id":"jvasp-102262","created_at":"2022-09-04T14:36:44.677172Z","updated_at":"2022-09-04T14:36:44.677191Z","structure_string":"Rb2 Tl1 Au1 F6\n1.0\n5.597308 -0.000000 3.231607\n1.865769 5.277192 3.231607\n-0.000000 -0.000000 6.463214\nRb Tl Au F\n2 1 1 6\ndirect\n0.750001 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Au\n0.747919 0.252081 0.252081 F\n0.252081 0.252081 0.747918 F\n0.252082 0.747918 0.747919 F\n0.252082 0.747918 0.252082 F\n0.747919 0.252081 0.747919 F\n0.747919 0.747918 0.252082 F\n","nsites":10,"nelements":4,"elements":["Rb","Tl","Au","F"],"chemical_system":"Au-F-Rb-Tl","density":5.969214723175638,"density_atomic":0.05238046669005907,"volume":190.91086108818178,"volume_molar":11.496920780858373,"formula_full":"Rb2 Tl1 Au1 F6","formula_reduced":"Rb2TlAuF6","formula_anonymous":"ABC2D6","energy_above_hull":0.0,"spacegroup":225},{"id":"jvasp-106456","created_at":"2022-09-04T14:36:46.217488Z","updated_at":"2022-09-04T14:36:46.217497Z","structure_string":"Rb2 Li1 Pr1 F6\n1.0\n5.353521 -0.000000 3.090857\n1.784507 5.047348 3.090857\n-0.000000 -0.000000 6.181713\nRb Li Pr F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Pr\n0.737714 0.262286 0.262286 F\n0.262286 0.262286 0.737714 F\n0.262286 0.737714 0.737714 F\n0.262286 0.737714 0.262286 F\n0.737714 0.262286 0.737714 F\n0.737714 0.737714 0.262286 F\n","nsites":10,"nelements":4,"elements":["Rb","Li","Pr","F"],"chemical_system":"F-Li-Pr-Rb","density":4.302286549323555,"density_atomic":0.05986712495610805,"volume":167.03658322212002,"volume_molar":10.05917816233061,"formula_full":"Rb2 Li1 Pr1 F6","formula_reduced":"Rb2LiPrF6","formula_anonymous":"ABC2D6","energy_above_hull":0.0,"spacegroup":225},{"id":"jvasp-3096","created_at":"2022-09-04T14:35:44.345948Z","updated_at":"2022-09-04T14:35:44.345984Z","structure_string":"Tl2 Sn1 F6\n1.0\n3.048547 -5.280239 0.000000\n3.048547 5.280239 0.000000\n0.000000 0.000000 4.796120\nTl Sn F\n2 1 6\ndirect\n0.666668 0.333333 0.696724 Tl\n0.333333 0.666668 0.303276 Tl\n0.000000 0.000000 0.000000 Sn\n0.841185 0.158816 0.230415 F\n0.317630 0.158815 0.230415 F\n0.841186 0.682371 0.230415 F\n0.158816 0.841185 0.769585 F\n0.682371 0.841186 0.769585 F\n0.158815 0.317630 0.769585 F\n","nsites":9,"nelements":3,"elements":["Tl","Sn","F"],"chemical_system":"F-Sn-Tl","density":6.89853572645395,"density_atomic":0.05828757638060049,"volume":154.406831761758,"volume_molar":10.331774168610504,"formula_full":"Tl2 Sn1 F6","formula_reduced":"Tl2SnF6","formula_anonymous":"AB2C6","energy_above_hull":0.0,"spacegroup":164},{"id":"jvasp-9709","created_at":"2022-09-04T14:37:16.104445Z","updated_at":"2022-09-04T14:37:16.104472Z","structure_string":"K2 Au2 F8\n1.0\n5.465359 -0.000000 -2.545646\n-1.185707 5.335189 -2.545646\n-0.011315 -0.014105 7.115438\nK Au F\n2 2 8\ndirect\n0.250000 0.250000 0.500000 K\n0.750000 0.750000 0.499999 K\n-0.000000 0.500000 -0.000000 Au\n0.500000 -0.000000 -0.000000 Au\n0.956540 0.456540 0.240433 F\n0.716107 0.216106 0.759566 F\n0.043460 0.543459 0.759566 F\n0.216107 0.043459 0.759566 F\n0.283893 0.783893 0.240433 F\n0.456540 0.283893 0.240434 F\n0.783893 0.956540 0.240433 F\n0.543460 0.716106 0.759566 F\n","nsites":12,"nelements":3,"elements":["K","Au","F"],"chemical_system":"Au-F-K","density":5.0045759786404185,"density_atomic":0.05794733248215622,"volume":207.08459709849754,"volume_molar":10.392438274625333,"formula_full":"K2 Au2 F8","formula_reduced":"KAuF4","formula_anonymous":"ABC4","energy_above_hull":0.0,"spacegroup":140}]}