{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=volume_molar&page=4562","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=volume_molar&page=4560","results":[{"id":"jvasp-36453","created_at":"2022-09-04T14:37:18.631490Z","updated_at":"2022-09-04T14:37:18.631516Z","structure_string":"Sr3 Sb1 N1\n1.0\n6.091065 0.000000 -0.000000\n0.000000 6.091065 0.000000\n-0.000000 0.000000 6.091065\nSr Sb N\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Sr\n0.500000 0.000000 0.500000 Sr\n0.500000 0.500000 0.000000 Sr\n0.500000 0.500000 0.500000 Sb\n0.000000 0.000000 0.000000 N\n","nsites":5,"nelements":3,"elements":["Sr","Sb","N"],"chemical_system":"N-Sb-Sr","density":2.9291106622392724,"density_atomic":0.022125357779242523,"volume":225.98504620299877,"volume_molar":27.218275157791247,"formula_full":"Sr3 Sb1 N1","formula_reduced":"Sr3SbN","formula_anonymous":"ABC3","energy_above_hull":1.1841576559999998,"spacegroup":221},{"id":"jvasp-36914","created_at":"2022-09-04T14:37:59.223572Z","updated_at":"2022-09-04T14:37:59.223589Z","structure_string":"Rb1 Ca1 I3\n1.0\n6.091662 0.000151 0.005232\n-0.001423 6.091045 0.002334\n-0.005044 -0.003444 6.091051\nRb Ca I\n1 1 3\ndirect\n0.001490 0.001653 0.998065 Rb\n0.513583 0.499804 0.497891 Ca\n0.515492 -0.000272 0.498062 I\n0.013941 0.499418 0.498050 I\n0.515499 0.499398 0.997929 I\n","nsites":5,"nelements":3,"elements":["Rb","Ca","I"],"chemical_system":"Ca-I-Rb","density":3.719647516335952,"density_atomic":0.02212329226435263,"volume":226.0061450282662,"volume_molar":27.220816359703864,"formula_full":"Rb1 Ca1 I3","formula_reduced":"RbCaI3","formula_anonymous":"ABC3","energy_above_hull":0.0152480000000003,"spacegroup":99},{"id":"jvasp-64108","created_at":"2022-09-04T14:36:00.334946Z","updated_at":"2022-09-04T14:36:00.334977Z","structure_string":"Ba4 Ca1 Fe1\n1.0\n-0.000000 5.137907 5.137907\n5.137907 0.000000 5.137907\n5.137907 5.137907 0.000000\nBa Ca Fe\n4 1 1\ndirect\n0.119830 0.626724 0.626724 Ba\n0.626724 0.626724 0.626724 Ba\n0.626724 0.119830 0.626724 Ba\n0.626724 0.626724 0.119830 Ba\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 Fe\n","nsites":6,"nelements":3,"elements":["Ba","Ca","Fe"],"chemical_system":"Ba-Ca-Fe","density":3.9498045865699347,"density_atomic":0.0221188497171132,"volume":271.2618457440778,"volume_molar":27.226283631470725,"formula_full":"Ba4 Ca1 Fe1","formula_reduced":"Ba4CaFe","formula_anonymous":"ABC4","energy_above_hull":0.5415249666666666,"spacegroup":216},{"id":"jvasp-117787","created_at":"2022-09-04T14:38:49.673679Z","updated_at":"2022-09-04T14:38:49.673715Z","structure_string":"I2 Br1\n1.0\n5.703309 0.000000 -0.000399\n0.000000 3.886129 0.000000\n-0.000580 0.000000 6.120553\nI Br\n2 1\ndirect\n-0.033381 0.000000 -0.033331 I\n-0.033250 0.000000 0.466683 I\n0.466631 0.000000 -0.033352 Br\n","nsites":3,"nelements":2,"elements":["I","Br"],"chemical_system":"Br-I","density":4.084955874508625,"density_atomic":0.02211497637746484,"volume":135.65467802430032,"volume_molar":27.23105219382718,"formula_full":"I2 Br1","formula_reduced":"I2Br","formula_anonymous":"AB2","energy_above_hull":0.0308666666666666,"spacegroup":47},{"id":"jvasp-64459","created_at":"2022-09-04T14:35:52.114405Z","updated_at":"2022-09-04T14:35:52.114430Z","structure_string":"Ba4 Cr1 Te1\n1.0\n0.000000 5.140047 5.140047\n5.140047 -0.000000 5.140047\n5.140047 5.140047 0.000000\nBa Cr Te\n4 1 1\ndirect\n0.125108 0.624964 0.624964 Ba\n0.624964 0.624964 0.624964 Ba\n0.624964 0.125108 0.624964 Ba\n0.624964 0.624964 0.125108 Ba\n0.250000 0.250000 0.250000 Cr\n0.000000 0.000000 0.000000 Te\n","nsites":6,"nelements":3,"elements":["Ba","Cr","Te"],"chemical_system":"Ba-Cr-Te","density":4.456441649303755,"density_atomic":0.022091234424480397,"volume":271.6009383953258,"volume_molar":27.260318026079002,"formula_full":"Ba4 Cr1 Te1","formula_reduced":"Ba4CrTe","formula_anonymous":"ABC4","energy_above_hull":0.9401065077777776,"spacegroup":216},{"id":"jvasp-64362","created_at":"2022-09-04T14:36:16.532394Z","updated_at":"2022-09-04T14:36:16.532427Z","structure_string":"Ba4 Na1 Sb1\n1.0\n-0.000000 5.140743 5.140743\n5.140743 -0.000000 5.140743\n5.140743 5.140743 0.000000\nBa Na Sb\n4 1 1\ndirect\n0.118590 0.627136 0.627136 Ba\n0.627136 0.627136 0.627136 Ba\n0.627136 0.118590 0.627136 Ba\n0.627136 0.627136 0.118590 Ba\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Sb\n","nsites":6,"nelements":3,"elements":["Ba","Na","Sb"],"chemical_system":"Ba-Na-Sb","density":4.241671619539484,"density_atomic":0.022082262909518403,"volume":271.7112836028115,"volume_molar":27.271393265606843,"formula_full":"Ba4 Na1 Sb1","formula_reduced":"Ba4NaSb","formula_anonymous":"ABC4","energy_above_hull":0.0412273241666666,"spacegroup":216},{"id":"jvasp-16010","created_at":"2022-09-04T14:36:55.626234Z","updated_at":"2022-09-04T14:36:55.626244Z","structure_string":"Ba2 Cd1\n1.0\n4.111760 -0.000000 -1.112516\n-0.301013 4.100727 -1.112516\n-0.022473 -0.024183 8.071545\nBa Cd\n2 1\ndirect\n0.632597 0.632597 0.265193 Ba\n0.367405 0.367404 0.734806 Ba\n0.000000 0.000000 0.000000 Cd\n","nsites":3,"nelements":2,"elements":["Ba","Cd"],"chemical_system":"Ba-Cd","density":4.730361180984553,"density_atomic":0.022079160518806876,"volume":135.87473117216666,"volume_molar":27.27522522819825,"formula_full":"Ba2 Cd1","formula_reduced":"Ba2Cd","formula_anonymous":"AB2","energy_above_hull":0.0,"spacegroup":139},{"id":"jvasp-105258","created_at":"2022-09-04T14:36:56.643974Z","updated_at":"2022-09-04T14:36:56.643999Z","structure_string":"Sr6 Sm2\n1.0\n8.030660 -0.000000 0.000000\n-4.015330 6.954756 0.000000\n-0.000000 -0.000000 6.487628\nSr Sm\n6 2\ndirect\n0.171634 0.343268 0.250000 Sr\n0.656733 0.828367 0.250000 Sr\n0.171634 0.828367 0.250000 Sr\n0.828366 0.656733 0.750000 Sr\n0.343268 0.171634 0.750000 Sr\n0.828366 0.171634 0.750000 Sr\n0.333334 0.666667 0.750000 Sm\n0.666667 0.333334 0.250000 Sm\n","nsites":8,"nelements":2,"elements":["Sr","Sm"],"chemical_system":"Sm-Sr","density":3.787401526588922,"density_atomic":0.022078568429059017,"volume":362.3423332769478,"volume_molar":27.275956678757648,"formula_full":"Sr6 Sm2","formula_reduced":"Sr3Sm","formula_anonymous":"AB3","energy_above_hull":0.0,"spacegroup":194},{"id":"jvasp-64352","created_at":"2022-09-04T14:36:11.057759Z","updated_at":"2022-09-04T14:36:11.057785Z","structure_string":"Ba4 Mg1 Tl1\n1.0\n0.000000 5.141281 5.141281\n5.141281 -0.000000 5.141281\n5.141281 5.141281 0.000000\nBa Mg Tl\n4 1 1\ndirect\n0.123237 0.625587 0.625587 Ba\n0.625587 0.625587 0.625587 Ba\n0.625587 0.123237 0.625587 Ba\n0.625587 0.625587 0.123237 Ba\n0.250000 0.250000 0.250000 Mg\n0.000000 0.000000 0.000000 Tl\n","nsites":6,"nelements":3,"elements":["Ba","Mg","Tl"],"chemical_system":"Ba-Mg-Tl","density":4.7531619286274776,"density_atomic":0.0220753313601823,"volume":271.7965996570414,"volume_molar":27.27995635373452,"formula_full":"Ba4 Mg1 Tl1","formula_reduced":"Ba4MgTl","formula_anonymous":"ABC4","energy_above_hull":0.0,"spacegroup":216},{"id":"jvasp-117498","created_at":"2022-09-04T14:38:45.472216Z","updated_at":"2022-09-04T14:38:45.472243Z","structure_string":"B1 I2\n1.0\n4.225564 0.000000 0.000000\n0.000000 4.222404 0.000000\n0.000000 0.000000 7.625163\nB I\n1 2\ndirect\n0.293293 0.000000 0.000000 B\n0.053354 0.000000 0.756554 I\n0.053354 0.000000 0.243445 I\n","nsites":3,"nelements":2,"elements":["B","I"],"chemical_system":"B-I","density":3.2298181004816544,"density_atomic":0.022050967780830877,"volume":136.04845056315077,"volume_molar":27.310097315706507,"formula_full":"B1 I2","formula_reduced":"BI2","formula_anonymous":"AB2","energy_above_hull":1.4170450444444445,"spacegroup":25},{"id":"jvasp-64332","created_at":"2022-09-04T14:35:53.314307Z","updated_at":"2022-09-04T14:35:53.314332Z","structure_string":"Ba4 La1 Zr1\n1.0\n0.000000 5.143498 5.143498\n5.143498 0.000000 5.143498\n5.143498 5.143498 0.000000\nBa La Zr\n4 1 1\ndirect\n0.117919 0.627360 0.627360 Ba\n0.627360 0.627360 0.627360 Ba\n0.627360 0.117919 0.627360 Ba\n0.627360 0.627360 0.117919 Ba\n0.250000 0.250000 0.250000 La\n0.000000 0.000000 0.000000 Zr\n","nsites":6,"nelements":3,"elements":["Ba","La","Zr"],"chemical_system":"Ba-La-Zr","density":4.7558117523294055,"density_atomic":0.022046798297100625,"volume":272.1483600087665,"volume_molar":27.31526219293244,"formula_full":"Ba4 La1 Zr1","formula_reduced":"Ba4LaZr","formula_anonymous":"ABC4","energy_above_hull":1.0869655633333333,"spacegroup":216},{"id":"jvasp-64777","created_at":"2022-09-04T14:36:19.088861Z","updated_at":"2022-09-04T14:36:19.088890Z","structure_string":"Ba4 La1 Ga1\n1.0\n0.000000 5.143648 5.143648\n5.143648 0.000000 5.143648\n5.143648 5.143648 -0.000000\nBa La Ga\n4 1 1\ndirect\n0.128025 0.623992 0.623992 Ba\n0.623992 0.623992 0.623992 Ba\n0.623992 0.128025 0.623992 Ba\n0.623992 0.623992 0.128025 Ba\n0.000000 0.000000 0.000000 La\n0.250000 0.250000 0.250000 Ga\n","nsites":6,"nelements":3,"elements":["Ba","La","Ga"],"chemical_system":"Ba-Ga-La","density":4.624216778362432,"density_atomic":0.02204486955510336,"volume":272.1721707176538,"volume_molar":27.317652050274354,"formula_full":"Ba4 La1 Ga1","formula_reduced":"Ba4LaGa","formula_anonymous":"ABC4","energy_above_hull":0.1615002008333332,"spacegroup":216}]}