{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-formula_full&page=4341","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-formula_full&page=4339","results":[{"id":"jvasp-114596","created_at":"2022-09-04T14:38:41.365045Z","updated_at":"2022-09-04T14:38:41.365069Z","structure_string":"Ba1 Zr1 Te1\n1.0\n7.765346 -0.653841 0.000000\n-0.731112 4.011495 0.000000\n0.000000 0.000000 3.644642\nBa Zr Te\n1 1 1\ndirect\n0.454672 0.099709 0.000000 Ba\n-0.158248 -0.206476 0.000000 Zr\n0.095906 0.420461 0.000000 Te\n","nsites":3,"nelements":3,"elements":["Ba","Zr","Te"],"chemical_system":"Ba-Te-Zr","density":5.290266828152006,"density_atomic":0.026835863025598535,"volume":111.79070325177624,"volume_molar":22.44064502138621,"formula_full":"Ba1 Zr1 Te1","formula_reduced":"BaZrTe","formula_anonymous":"ABC","energy_above_hull":1.4716727455555554,"spacegroup":38},{"id":"jvasp-114595","created_at":"2022-09-04T14:38:42.518330Z","updated_at":"2022-09-04T14:38:42.518357Z","structure_string":"Ba1 Zr1 Te1\n1.0\n3.266015 0.000000 0.000000\n-0.000000 3.266015 0.000000\n-0.000000 0.000000 9.570621\nBa Zr Te\n1 1 1\ndirect\n0.000000 0.000000 0.398105 Ba\n0.000000 0.000000 0.045099 Zr\n0.000000 0.000000 0.749345 Te\n","nsites":3,"nelements":3,"elements":["Ba","Zr","Te"],"chemical_system":"Ba-Te-Zr","density":5.79304360068179,"density_atomic":0.02938629177302241,"volume":102.08841670707496,"volume_molar":20.4930271791847,"formula_full":"Ba1 Zr1 Te1","formula_reduced":"BaZrTe","formula_anonymous":"ABC","energy_above_hull":1.6089960788888886,"spacegroup":99},{"id":"jvasp-66414","created_at":"2022-09-04T14:35:46.887951Z","updated_at":"2022-09-04T14:35:46.887978Z","structure_string":"Ba1 Zr1 Te1\n1.0\n-0.000000 3.976232 3.976232\n3.976232 -0.000000 3.976232\n3.976232 3.976232 0.000000\nBa Zr Te\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Te\n","nsites":3,"nelements":3,"elements":["Ba","Zr","Te"],"chemical_system":"Ba-Te-Zr","density":4.703683826843373,"density_atomic":0.02386031158601987,"volume":125.73180317384232,"volume_molar":25.239153890716437,"formula_full":"Ba1 Zr1 Te1","formula_reduced":"BaZrTe","formula_anonymous":"ABC","energy_above_hull":1.645489412222222,"spacegroup":216},{"id":"jvasp-36917","created_at":"2022-09-04T14:37:55.472016Z","updated_at":"2022-09-04T14:37:55.472037Z","structure_string":"Ba1 Zr1 Se3\n1.0\n5.257269 -0.001632 -0.003318\n0.001912 5.264279 -0.002774\n0.004540 0.007212 5.267448\nBa Zr Se\n1 1 3\ndirect\n0.987338 0.995755 0.992104 Ba\n0.487116 0.490813 0.486954 Zr\n0.488975 0.998977 0.506305 Se\n0.987951 0.508235 0.507776 Se\n0.488615 0.506220 0.996867 Se\n","nsites":5,"nelements":3,"elements":["Ba","Zr","Se"],"chemical_system":"Ba-Se-Zr","density":5.3015693963324075,"density_atomic":0.03429809914321909,"volume":145.78067370793423,"volume_molar":17.55823474313622,"formula_full":"Ba1 Zr1 Se3","formula_reduced":"BaZrSe3","formula_anonymous":"ABC3","energy_above_hull":1.421578114,"spacegroup":38},{"id":"jvasp-65636","created_at":"2022-09-04T14:35:48.496019Z","updated_at":"2022-09-04T14:35:48.496047Z","structure_string":"Ba1 Zr1 Se2\n1.0\n4.307144 0.000000 0.000000\n0.000000 4.307522 0.000000\n0.000000 0.000000 6.043543\nBa Zr Se\n1 1 2\ndirect\n0.500000 0.500000 0.875006 Ba\n0.000000 0.000000 0.374930 Zr\n0.000000 0.000000 0.875047 Se\n0.500000 0.500000 0.375015 Se\n","nsites":4,"nelements":3,"elements":["Ba","Zr","Se"],"chemical_system":"Ba-Se-Zr","density":5.72344476535716,"density_atomic":0.03567397297181644,"volume":112.1265636199289,"volume_molar":16.881048726357676,"formula_full":"Ba1 Zr1 Se2","formula_reduced":"BaZrSe2","formula_anonymous":"ABC2","energy_above_hull":1.4083568008333334,"spacegroup":123},{"id":"jvasp-120875","created_at":"2022-09-04T14:38:54.595171Z","updated_at":"2022-09-04T14:38:54.595203Z","structure_string":"Ba1 Zr1 Se1\n1.0\n3.520576 -0.000000 0.000000\n0.000000 3.520576 0.000000\n0.000000 0.000000 8.735876\nBa Zr Se\n1 1 1\ndirect\n0.000000 0.000000 0.431830 Ba\n0.000000 0.000000 0.052635 Zr\n0.000000 0.000000 0.778416 Se\n","nsites":3,"nelements":3,"elements":["Ba","Zr","Se"],"chemical_system":"Ba-Se-Zr","density":4.71602223562098,"density_atomic":0.027706862265103414,"volume":108.27642521536903,"volume_molar":21.73519578788552,"formula_full":"Ba1 Zr1 Se1","formula_reduced":"BaZrSe","formula_anonymous":"ABC","energy_above_hull":1.6933946122222223,"spacegroup":99},{"id":"jvasp-120876","created_at":"2022-09-04T14:38:50.832997Z","updated_at":"2022-09-04T14:38:50.833023Z","structure_string":"Ba1 Zr1 Se1\n1.0\n6.350127 0.000000 0.000000\n0.000000 6.350127 0.000000\n0.000000 0.000000 4.762595\nBa Zr Se\n1 1 1\ndirect\n0.377144 -0.007208 0.000000 Ba\n-0.050150 -0.123291 0.000000 Zr\n0.057691 0.398756 0.000000 Se\n","nsites":3,"nelements":3,"elements":["Ba","Zr","Se"],"chemical_system":"Ba-Se-Zr","density":2.658895562119763,"density_atomic":0.015621142021024966,"volume":192.04741855379137,"volume_molar":38.55121957085225,"formula_full":"Ba1 Zr1 Se1","formula_reduced":"BaZrSe","formula_anonymous":"ABC","energy_above_hull":1.9228946122222224,"spacegroup":6},{"id":"jvasp-66594","created_at":"2022-09-04T14:36:14.416375Z","updated_at":"2022-09-04T14:36:14.416403Z","structure_string":"Ba1 Zr1 Sb1\n1.0\n0.000000 3.877534 3.877534\n3.877534 0.000000 3.877534\n3.877534 3.877534 0.000000\nBa Zr Sb\n1 1 1\ndirect\n0.749999 0.749999 0.749999 Ba\n0.499999 0.499999 0.499999 Zr\n0.000000 0.000000 0.000000 Sb\n","nsites":3,"nelements":3,"elements":["Ba","Zr","Sb"],"chemical_system":"Ba-Sb-Zr","density":4.988914173951083,"density_atomic":0.02572908935672168,"volume":116.5995406369194,"volume_molar":23.40596154222895,"formula_full":"Ba1 Zr1 Sb1","formula_reduced":"BaZrSb","formula_anonymous":"ABC","energy_above_hull":1.9213988566666669,"spacegroup":216},{"id":"jvasp-66250","created_at":"2022-09-04T14:35:47.629802Z","updated_at":"2022-09-04T14:35:47.629832Z","structure_string":"Ba1 Zr1 Pb1\n1.0\n-0.000000 3.866152 3.866152\n3.866152 0.000000 3.866152\n3.866152 3.866152 0.000000\nBa Zr Pb\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Pb\n","nsites":3,"nelements":3,"elements":["Ba","Zr","Pb"],"chemical_system":"Ba-Pb-Zr","density":6.260668671171529,"density_atomic":0.025956999297222262,"volume":115.57576303979941,"volume_molar":23.20045044900258,"formula_full":"Ba1 Zr1 Pb1","formula_reduced":"BaZrPb","formula_anonymous":"ABC","energy_above_hull":1.5897537633333334,"spacegroup":216},{"id":"jvasp-26814","created_at":"2022-09-04T14:38:27.910252Z","updated_at":"2022-09-04T14:38:27.910267Z","structure_string":"Ba1 Zr1 P2 O8\n1.0\n5.044597 -0.030622 0.249058\n2.210465 4.534617 0.249058\n0.027268 0.016928 7.934072\nBa Zr P O\n1 1 2 8\ndirect\n0.000000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Zr\n0.634076 0.634078 0.221043 P\n0.365923 0.365924 0.778957 P\n0.313347 0.313348 0.599410 O\n0.686652 0.686654 0.400590 O\n0.767473 0.296877 0.191498 O\n0.296875 0.767474 0.191498 O\n0.769086 0.769087 0.082548 O\n0.232527 0.703125 0.808502 O\n0.230913 0.230914 0.917452 O\n0.703124 0.232528 0.808502 O\n","nsites":12,"nelements":4,"elements":["Ba","Zr","P","O"],"chemical_system":"Ba-O-P-Zr","density":3.8185116093931724,"density_atomic":0.065938234467019,"volume":181.98849418696767,"volume_molar":9.133002739119677,"formula_full":"Ba1 Zr1 P2 O8","formula_reduced":"BaZr(PO4)2","formula_anonymous":"ABC2D8","energy_above_hull":2.7312416225,"spacegroup":12},{"id":"jvasp-57040","created_at":"2022-09-04T14:37:29.609228Z","updated_at":"2022-09-04T14:37:29.609248Z","structure_string":"Ba1 Zr1 P2 O8\n1.0\n2.654413 -4.597578 -0.000000\n2.654413 4.597578 0.000000\n-0.000000 -0.000000 7.522330\nBa Zr P O\n1 1 2 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Zr\n0.333332 0.666666 0.252308 P\n0.666666 0.333332 0.747692 P\n0.824277 0.175722 0.673322 O\n0.175722 0.351444 0.326678 O\n0.175722 0.824277 0.326678 O\n0.351444 0.175722 0.673322 O\n0.824276 0.648555 0.673322 O\n0.666666 0.333332 0.949024 O\n0.333332 0.666666 0.050976 O\n0.648555 0.824276 0.326678 O\n","nsites":12,"nelements":4,"elements":["Ba","Zr","P","O"],"chemical_system":"Ba-O-P-Zr","density":3.784931882186714,"density_atomic":0.06535837818992107,"volume":183.60308704616116,"volume_molar":9.214030284687627,"formula_full":"Ba1 Zr1 P2 O8","formula_reduced":"BaZr(PO4)2","formula_anonymous":"ABC2D8","energy_above_hull":2.7319782891666664,"spacegroup":164},{"id":"jvasp-115592","created_at":"2022-09-04T14:38:45.390107Z","updated_at":"2022-09-04T14:38:45.390135Z","structure_string":"Ba1 Zr1 O3\n1.0\n2.986228 1.724099 2.438568\n-2.986228 1.724099 2.438568\n0.000000 -3.448199 2.438568\nBa Zr O\n1 1 3\ndirect\n-0.005832 -0.005832 -0.005832 Ba\n0.494201 0.494201 0.494201 Zr\n0.494249 -0.005772 0.494249 O\n0.494249 0.494249 -0.005772 O\n-0.005772 0.494249 0.494249 O\n","nsites":5,"nelements":3,"elements":["Ba","Zr","O"],"chemical_system":"Ba-O-Zr","density":6.096072675574955,"density_atomic":0.06637409862004458,"volume":75.33058985286212,"volume_molar":9.073028312555266,"formula_full":"Ba1 Zr1 O3","formula_reduced":"BaZrO3","formula_anonymous":"ABC3","energy_above_hull":1.6904961939999996,"spacegroup":221}]}