{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=volume_molar&page=4596","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=volume_molar&page=4594","results":[{"id":"jvasp-36503","created_at":"2022-09-04T14:37:29.991734Z","updated_at":"2022-09-04T14:37:29.991762Z","structure_string":"Ba3 Sb1 P1\n1.0\n6.424083 0.000000 0.000000\n0.000000 6.424083 0.000000\n-0.000000 0.000000 6.424083\nBa Sb P\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Ba\n0.500000 0.000000 0.500000 Ba\n0.500000 0.500000 0.000000 Ba\n0.500000 0.500000 0.500000 Sb\n0.000000 0.000000 0.000000 P\n","nsites":5,"nelements":3,"elements":["Ba","Sb","P"],"chemical_system":"Ba-P-Sb","density":3.5370793903272424,"density_atomic":0.0188597778989942,"volume":265.1144688329894,"volume_molar":31.931132976497903,"formula_full":"Ba3 Sb1 P1","formula_reduced":"Ba3SbP","formula_anonymous":"ABC3","energy_above_hull":0.759325902,"spacegroup":221},{"id":"jvasp-38228","created_at":"2022-09-04T14:37:55.972202Z","updated_at":"2022-09-04T14:37:55.972224Z","structure_string":"Rb3 Mo1\n1.0\n0.000000 4.737006 4.737006\n4.737006 -0.000000 4.737006\n4.737006 4.737006 0.000000\nRb Mo\n3 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Rb\n0.250000 0.250000 0.250000 Rb\n0.750001 0.750001 0.750001 Mo\n","nsites":4,"nelements":2,"elements":["Rb","Mo"],"chemical_system":"Mo-Rb","density":2.752158477006611,"density_atomic":0.018815605171646318,"volume":212.58949491710717,"volume_molar":32.0060965622031,"formula_full":"Rb3 Mo1","formula_reduced":"Rb3Mo","formula_anonymous":"AB3","energy_above_hull":1.089686475,"spacegroup":225},{"id":"jvasp-38223","created_at":"2022-09-04T14:37:46.266965Z","updated_at":"2022-09-04T14:37:46.266986Z","structure_string":"Rb3 Mo1\n1.0\n-3.348502 3.348502 4.743738\n3.348502 -3.348502 4.743738\n3.348502 3.348502 -4.743738\nRb Mo\n3 1\ndirect\n0.750001 0.250000 0.500001 Rb\n0.250000 0.750001 0.500001 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Mo\n","nsites":4,"nelements":2,"elements":["Rb","Mo"],"chemical_system":"Mo-Rb","density":2.750004642491698,"density_atomic":0.018800880111234194,"volume":212.75599739662496,"volume_molar":32.03116409641673,"formula_full":"Rb3 Mo1","formula_reduced":"Rb3Mo","formula_anonymous":"AB3","energy_above_hull":1.089998975,"spacegroup":225},{"id":"jvasp-38183","created_at":"2022-09-04T14:38:11.568457Z","updated_at":"2022-09-04T14:38:11.568490Z","structure_string":"Rb3 Tl1\n1.0\n0.000000 4.738295 4.738295\n4.738295 0.000000 4.738295\n4.738295 4.738295 -0.000000\nRb Tl\n3 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500002 0.500002 0.500002 Rb\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Tl\n","nsites":4,"nelements":2,"elements":["Rb","Tl"],"chemical_system":"Rb-Tl","density":3.5962738042796505,"density_atomic":0.018800253625685843,"volume":212.76308711787806,"volume_molar":32.032231478900115,"formula_full":"Rb3 Tl1","formula_reduced":"Rb3Tl","formula_anonymous":"AB3","energy_above_hull":0.0001599999999999,"spacegroup":225},{"id":"jvasp-119962","created_at":"2022-09-04T14:38:54.044445Z","updated_at":"2022-09-04T14:38:54.044468Z","structure_string":"Ba2 Se1\n1.0\n4.383440 0.000000 -0.552875\n0.000000 4.330845 0.000000\n-1.132864 0.000000 8.549292\nBa Se\n2 1\ndirect\n-0.165553 0.000000 -0.132436 Ba\n0.098886 0.000000 0.399102 Ba\n0.466667 0.000000 0.133334 Se\n","nsites":3,"nelements":2,"elements":["Ba","Se"],"chemical_system":"Ba-Se","density":3.679429448746125,"density_atomic":0.018798499548515372,"volume":159.5872049392861,"volume_molar":32.03522038797827,"formula_full":"Ba2 Se1","formula_reduced":"Ba2Se","formula_anonymous":"AB2","energy_above_hull":0.4139686566666666,"spacegroup":65},{"id":"jvasp-64278","created_at":"2022-09-04T14:36:01.943440Z","updated_at":"2022-09-04T14:36:01.943466Z","structure_string":"K1 Ba1 Zr1\n1.0\n0.000000 4.305853 4.305853\n4.305853 0.000000 4.305853\n4.305853 4.305853 0.000000\nK Ba Zr\n1 1 1\ndirect\n0.000000 0.000000 0.000000 K\n0.749999 0.749999 0.749999 Ba\n0.500000 0.500000 0.500000 Zr\n","nsites":3,"nelements":3,"elements":["K","Ba","Zr"],"chemical_system":"Ba-K-Zr","density":2.7836050540637,"density_atomic":0.018789432434471568,"volume":159.66421606733178,"volume_molar":32.05067944975085,"formula_full":"K1 Ba1 Zr1","formula_reduced":"KBaZr","formula_anonymous":"ABC","energy_above_hull":1.38725949,"spacegroup":216},{"id":"jvasp-52462","created_at":"2022-09-04T14:37:44.044014Z","updated_at":"2022-09-04T14:37:44.044038Z","structure_string":"Ba4 Sr2 I12\n1.0\n7.879753 -0.000000 0.000000\n0.000000 7.879753 0.000000\n0.000000 0.000000 15.432568\nBa Sr I\n4 2 12\ndirect\n0.000000 0.000000 0.000882 Ba\n0.000000 0.000000 0.334112 Ba\n0.500000 0.500000 0.500882 Ba\n0.500000 0.500000 0.834112 Ba\n0.000000 0.000000 0.667490 Sr\n0.500000 0.500000 0.167490 Sr\n0.806347 0.193653 0.508042 I\n0.693653 0.693653 0.008042 I\n0.693648 0.693648 0.326935 I\n0.706006 0.706006 0.667504 I\n0.293994 0.293994 0.667504 I\n0.193653 0.806347 0.508042 I\n0.306347 0.306347 0.008042 I\n0.806351 0.193648 0.826935 I\n0.193648 0.806351 0.826935 I\n0.206006 0.793994 0.167504 I\n0.306352 0.306352 0.326935 I\n0.793994 0.206006 0.167504 I\n","nsites":18,"nelements":3,"elements":["Ba","Sr","I"],"chemical_system":"Ba-I-Sr","density":3.8946315990619818,"density_atomic":0.01878490907873531,"volume":958.2159766946206,"volume_molar":32.05839716742159,"formula_full":"Ba4 Sr2 I12","formula_reduced":"Ba2SrI6","formula_anonymous":"AB2C6","energy_above_hull":0.0106266666666666,"spacegroup":136},{"id":"jvasp-36505","created_at":"2022-09-04T14:37:30.914168Z","updated_at":"2022-09-04T14:37:30.914194Z","structure_string":"Ba3 Sb1 As1\n1.0\n6.434781 0.000000 0.000000\n0.000000 6.434781 -0.000000\n-0.000000 0.000000 6.434781\nBa Sb As\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Ba\n0.500000 0.000000 0.500000 Ba\n0.500000 0.500000 0.000000 Ba\n0.500000 0.500000 0.500000 Sb\n0.000000 0.000000 0.000000 As\n","nsites":5,"nelements":3,"elements":["Ba","Sb","As"],"chemical_system":"As-Ba-Sb","density":3.7933629830033055,"density_atomic":0.018765869502507505,"volume":266.4411579400516,"volume_molar":32.09092314744765,"formula_full":"Ba3 Sb1 As1","formula_reduced":"Ba3SbAs","formula_anonymous":"ABC3","energy_above_hull":0.5914171520000001,"spacegroup":221},{"id":"jvasp-114604","created_at":"2022-09-04T14:38:42.620483Z","updated_at":"2022-09-04T14:38:42.620508Z","structure_string":"Ca1 Be1 Se1\n1.0\n4.628876 0.000000 0.000000\n0.000000 4.628876 -0.000000\n0.000000 -0.000000 7.464465\nCa Be Se\n1 1 1\ndirect\n0.000000 0.000000 0.660013 Ca\n0.000000 0.000000 0.275731 Be\n0.000000 0.000000 0.008838 Se\n","nsites":3,"nelements":3,"elements":["Ca","Be","Se"],"chemical_system":"Be-Ca-Se","density":1.3294729876222249,"density_atomic":0.01875734968696625,"volume":159.93730724573433,"volume_molar":32.105499233639335,"formula_full":"Ca1 Be1 Se1","formula_reduced":"CaBeSe","formula_anonymous":"ABC","energy_above_hull":0.9331899622222224,"spacegroup":99},{"id":"jvasp-105121","created_at":"2022-09-04T14:36:50.730973Z","updated_at":"2022-09-04T14:36:50.730990Z","structure_string":"Ba1 Sr3\n1.0\n5.809740 -0.000000 3.354255\n1.936580 5.477476 3.354255\n-0.000000 -0.000000 6.708510\nBa Sr\n1 3\ndirect\n0.000000 0.000000 0.000000 Ba\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750001 0.750001 Sr\n0.500000 0.500000 0.500001 Sr\n","nsites":4,"nelements":2,"elements":["Ba","Sr"],"chemical_system":"Ba-Sr","density":3.112782828911575,"density_atomic":0.018736856876904632,"volume":213.48297776296022,"volume_molar":32.14061354881241,"formula_full":"Ba1 Sr3","formula_reduced":"BaSr3","formula_anonymous":"AB3","energy_above_hull":0.027960909090909,"spacegroup":225},{"id":"jvasp-69346","created_at":"2022-09-04T14:36:18.365434Z","updated_at":"2022-09-04T14:36:18.365460Z","structure_string":"K2 Ba1 Mg1\n1.0\n4.193943 0.000000 -0.000000\n-0.000000 4.193943 -0.000000\n0.000000 -0.000000 12.139462\nK Ba Mg\n2 1 1\ndirect\n0.000000 0.000000 0.794645 K\n0.000000 0.000000 0.205355 K\n0.500000 0.500000 0.500000 Ba\n0.500000 0.500000 0.000000 Mg\n","nsites":4,"nelements":3,"elements":["K","Ba","Mg"],"chemical_system":"Ba-K-Mg","density":1.8651148606484709,"density_atomic":0.018733352449665154,"volume":213.52291378425954,"volume_molar":32.146626057353885,"formula_full":"K2 Ba1 Mg1","formula_reduced":"K2BaMg","formula_anonymous":"ABC2","energy_above_hull":0.0,"spacegroup":123},{"id":"jvasp-114092","created_at":"2022-09-04T14:38:46.802527Z","updated_at":"2022-09-04T14:38:46.802554Z","structure_string":"Ba1 Te2\n1.0\n6.128444 0.000000 -1.449156\n0.000000 4.969227 0.000000\n-1.376415 0.000000 5.588649\nBa Te\n1 2\ndirect\n0.466679 0.000000 0.133221 Ba\n-0.127528 0.000000 -0.163620 Te\n0.060847 0.000000 0.430398 Te\n","nsites":3,"nelements":2,"elements":["Ba","Te"],"chemical_system":"Ba-Te","density":4.066601728443426,"density_atomic":0.018716914784467343,"volume":160.28282623211055,"volume_molar":32.17485803267967,"formula_full":"Ba1 Te2","formula_reduced":"BaTe2","formula_anonymous":"AB2","energy_above_hull":0.7397592555555557,"spacegroup":65}]}