{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-formula_reduced&page=4394","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-formula_reduced&page=4392","results":[{"id":"jvasp-64207","created_at":"2022-09-04T14:36:01.448743Z","updated_at":"2022-09-04T14:36:01.448768Z","structure_string":"Ba4 Hf1 Cd1\n1.0\n0.000000 5.020872 5.020872\n5.020872 0.000000 5.020872\n5.020872 5.020872 0.000000\nBa Hf Cd\n4 1 1\ndirect\n0.124397 0.625201 0.625201 Ba\n0.625201 0.625201 0.625201 Ba\n0.625201 0.124397 0.625201 Ba\n0.625201 0.625201 0.124397 Ba\n0.000000 0.000000 0.000000 Hf\n0.250000 0.250000 0.250000 Cd\n","nsites":6,"nelements":3,"elements":["Ba","Hf","Cd"],"chemical_system":"Ba-Cd-Hf","density":5.511489465362647,"density_atomic":0.023701935139333972,"volume":253.14388739689215,"volume_molar":25.407802040627907,"formula_full":"Ba4 Hf1 Cd1","formula_reduced":"Ba4HfCd","formula_anonymous":"ABC4","energy_above_hull":0.6109311049999998,"spacegroup":216},{"id":"jvasp-64465","created_at":"2022-09-04T14:36:02.259577Z","updated_at":"2022-09-04T14:36:02.259602Z","structure_string":"Ba4 Hf1 Br1\n1.0\n0.000000 5.112470 5.112470\n5.112470 0.000000 5.112470\n5.112470 5.112470 -0.000000\nBa Hf Br\n4 1 1\ndirect\n0.122788 0.625738 0.625738 Ba\n0.625738 0.625738 0.625738 Ba\n0.625738 0.122788 0.625738 Ba\n0.625738 0.625738 0.122788 Ba\n0.000000 0.000000 0.000000 Hf\n0.250000 0.250000 0.250000 Br\n","nsites":6,"nelements":3,"elements":["Ba","Hf","Br"],"chemical_system":"Ba-Br-Hf","density":5.018546382220782,"density_atomic":0.02245065090944422,"volume":267.2528304057325,"volume_molar":26.823902720195488,"formula_full":"Ba4 Hf1 Br1","formula_reduced":"Ba4HfBr","formula_anonymous":"ABC4","energy_above_hull":0.9036101641666664,"spacegroup":216},{"id":"jvasp-64855","created_at":"2022-09-04T14:36:21.589883Z","updated_at":"2022-09-04T14:36:21.589906Z","structure_string":"Ba4 Hf1 Bi1\n1.0\n0.000000 5.007566 5.007566\n5.007566 0.000000 5.007566\n5.007566 5.007566 -0.000000\nBa Hf Bi\n4 1 1\ndirect\n0.125993 0.624670 0.624670 Ba\n0.624670 0.624670 0.624670 Ba\n0.624670 0.125993 0.624670 Ba\n0.624670 0.624670 0.125993 Ba\n0.000000 0.000000 0.000000 Hf\n0.250000 0.250000 0.250000 Bi\n","nsites":6,"nelements":3,"elements":["Ba","Hf","Bi"],"chemical_system":"Ba-Bi-Hf","density":6.194067361086386,"density_atomic":0.023891378497801347,"volume":251.13661819690154,"volume_molar":25.206334412868642,"formula_full":"Ba4 Hf1 Bi1","formula_reduced":"Ba4HfBi","formula_anonymous":"ABC4","energy_above_hull":1.0910451966666663,"spacegroup":216},{"id":"jvasp-119432","created_at":"2022-09-04T14:38:33.249365Z","updated_at":"2022-09-04T14:38:33.249397Z","structure_string":"Ba4 Hf3 S10\n1.0\n4.936476 0.000947 -17.487658\n-0.093695 4.935587 -17.487658\n-0.000929 -0.000947 18.171048\nBa Hf S\n4 3 10\ndirect\n0.432237 0.432237 0.000000 Ba\n0.567763 0.567764 0.000001 Ba\n0.299861 0.299862 0.000000 Ba\n0.700139 0.700140 0.000001 Ba\n0.000000 0.000000 0.000000 Hf\n0.857620 0.857621 0.000001 Hf\n0.142380 0.142380 0.000000 Hf\n0.138698 0.638699 0.500000 S\n0.361301 0.861302 0.500000 S\n-0.000001 0.500000 0.499999 S\n0.500000 -0.000000 0.500000 S\n0.070263 0.070263 0.000000 S\n0.787587 0.787588 0.000001 S\n0.638699 0.138699 0.500000 S\n0.929737 0.929739 0.000001 S\n0.212413 0.212413 0.000000 S\n0.861301 0.361302 0.500001 S\n","nsites":17,"nelements":3,"elements":["Ba","Hf","S"],"chemical_system":"Ba-Hf-S","density":5.273278249128945,"density_atomic":0.03841244134853429,"volume":442.5649451892667,"volume_molar":15.677578796302642,"formula_full":"Ba4 Hf3 S10","formula_reduced":"Ba4Hf3S10","formula_anonymous":"A3B4C10","energy_above_hull":2.41475664,"spacegroup":139},{"id":"jvasp-66029","created_at":"2022-09-04T14:35:43.171810Z","updated_at":"2022-09-04T14:35:43.171838Z","structure_string":"Ba4 Ge1 W1\n1.0\n-0.000000 4.853401 4.853401\n4.853401 0.000000 4.853401\n4.853401 4.853401 0.000000\nBa Ge W\n4 1 1\ndirect\n0.126013 0.624662 0.624662 Ba\n0.624662 0.624662 0.624662 Ba\n0.624662 0.126013 0.624662 Ba\n0.624662 0.624662 0.126013 Ba\n0.250000 0.250000 0.250000 Ge\n0.000000 0.000000 0.000000 W\n","nsites":6,"nelements":3,"elements":["Ba","Ge","W"],"chemical_system":"Ba-Ge-W","density":5.851960303273062,"density_atomic":0.026241141849038196,"volume":228.64858680758647,"volume_molar":22.94923290550608,"formula_full":"Ba4 Ge1 W1","formula_reduced":"Ba4GeW","formula_anonymous":"ABC4","energy_above_hull":1.626838305,"spacegroup":216},{"id":"jvasp-63899","created_at":"2022-09-04T14:36:12.600262Z","updated_at":"2022-09-04T14:36:12.600290Z","structure_string":"Ba4 Ge1 Te1\n1.0\n0.000000 4.910973 4.910973\n4.910973 -0.000000 4.910973\n4.910973 4.910973 0.000000\nBa Ge Te\n4 1 1\ndirect\n0.124664 0.625112 0.625112 Ba\n0.625112 0.625112 0.625112 Ba\n0.625112 0.124664 0.625112 Ba\n0.625112 0.625112 0.124664 Ba\n0.250000 0.250000 0.250000 Ge\n0.000000 0.000000 0.000000 Te\n","nsites":6,"nelements":3,"elements":["Ba","Ge","Te"],"chemical_system":"Ba-Ge-Te","density":5.254312661137847,"density_atomic":0.02532903332677067,"volume":236.8823129802787,"volume_molar":23.77564387202689,"formula_full":"Ba4 Ge1 Te1","formula_reduced":"Ba4GeTe","formula_anonymous":"ABC4","energy_above_hull":0.134276266111111,"spacegroup":216},{"id":"jvasp-66681","created_at":"2022-09-04T14:35:52.293250Z","updated_at":"2022-09-04T14:35:52.293277Z","structure_string":"Ba4 Ge1 Se1\n1.0\n-0.000000 4.847003 4.847003\n4.847003 0.000000 4.847003\n4.847003 4.847003 -0.000000\nBa Ge Se\n4 1 1\ndirect\n0.124175 0.625274 0.625274 Ba\n0.625274 0.625274 0.625274 Ba\n0.625274 0.124175 0.625274 Ba\n0.625274 0.625274 0.124175 Ba\n0.250000 0.250000 0.250000 Ge\n0.000000 0.000000 0.000000 Se\n","nsites":6,"nelements":3,"elements":["Ba","Ge","Se"],"chemical_system":"Ba-Ge-Se","density":5.110463057099041,"density_atomic":0.026345193282940858,"volume":227.74552972762373,"volume_molar":22.858593958008576,"formula_full":"Ba4 Ge1 Se1","formula_reduced":"Ba4GeSe","formula_anonymous":"ABC4","energy_above_hull":0.233388866111111,"spacegroup":216},{"id":"jvasp-63910","created_at":"2022-09-04T14:35:42.988411Z","updated_at":"2022-09-04T14:35:42.988437Z","structure_string":"Ba4 Ge1 Sb1\n1.0\n-0.000000 4.902421 4.902421\n4.902421 -0.000000 4.902421\n4.902421 4.902421 -0.000000\nBa Ge Sb\n4 1 1\ndirect\n0.123933 0.625355 0.625355 Ba\n0.625355 0.625355 0.625355 Ba\n0.625355 0.123933 0.625355 Ba\n0.625355 0.625355 0.123933 Ba\n0.250000 0.250000 0.250000 Ge\n0.000000 0.000000 0.000000 Sb\n","nsites":6,"nelements":3,"elements":["Ba","Ge","Sb"],"chemical_system":"Ba-Ge-Sb","density":5.240705352301041,"density_atomic":0.02546181995418805,"volume":235.64694160886557,"volume_molar":23.651650867201486,"formula_full":"Ba4 Ge1 Sb1","formula_reduced":"Ba4GeSb","formula_anonymous":"ABC4","energy_above_hull":0.2873376549999999,"spacegroup":216},{"id":"jvasp-66569","created_at":"2022-09-04T14:35:45.380211Z","updated_at":"2022-09-04T14:35:45.380238Z","structure_string":"Ba4 Ge1 Ru1\n1.0\n-0.000000 4.783959 4.783959\n4.783959 -0.000000 4.783959\n4.783959 4.783959 -0.000000\nBa Ge Ru\n4 1 1\ndirect\n0.125173 0.624942 0.624942 Ba\n0.624942 0.624942 0.624942 Ba\n0.624942 0.125173 0.624942 Ba\n0.624942 0.624942 0.125173 Ba\n0.250000 0.250000 0.250000 Ge\n0.000000 0.000000 0.000000 Ru\n","nsites":6,"nelements":3,"elements":["Ba","Ge","Ru"],"chemical_system":"Ba-Ge-Ru","density":5.482843685012194,"density_atomic":0.02740052649944898,"volume":218.97389453887533,"volume_molar":21.978193594641706,"formula_full":"Ba4 Ge1 Ru1","formula_reduced":"Ba4GeRu","formula_anonymous":"ABC4","energy_above_hull":0.952865055,"spacegroup":216},{"id":"jvasp-66677","created_at":"2022-09-04T14:35:48.170796Z","updated_at":"2022-09-04T14:35:48.170824Z","structure_string":"Ba4 Ge1 Rh1\n1.0\n0.000000 4.770668 4.770668\n4.770668 0.000000 4.770668\n4.770668 4.770668 -0.000000\nBa Ge Rh\n4 1 1\ndirect\n0.124910 0.625031 0.625031 Ba\n0.625031 0.625031 0.625031 Ba\n0.625031 0.124910 0.625031 Ba\n0.625031 0.625031 0.124910 Ba\n0.250000 0.250000 0.250000 Ge\n0.000000 0.000000 0.000000 Rh\n","nsites":6,"nelements":3,"elements":["Ba","Ge","Rh"],"chemical_system":"Ba-Ge-Rh","density":5.542832559411315,"density_atomic":0.027630177320041627,"volume":217.15387239472702,"volume_molar":21.795519769002077,"formula_full":"Ba4 Ge1 Rh1","formula_reduced":"Ba4GeRh","formula_anonymous":"ABC4","energy_above_hull":0.6128838049999998,"spacegroup":216},{"id":"jvasp-66386","created_at":"2022-09-04T14:36:04.142430Z","updated_at":"2022-09-04T14:36:04.142456Z","structure_string":"Ba4 Ge1 Pt1\n1.0\n-0.000000 4.766280 4.766280\n4.766280 -0.000000 4.766280\n4.766280 4.766280 -0.000000\nBa Ge Pt\n4 1 1\ndirect\n0.124281 0.625240 0.625240 Ba\n0.625240 0.625240 0.625240 Ba\n0.625240 0.124281 0.625240 Ba\n0.625240 0.625240 0.124281 Ba\n0.250000 0.250000 0.250000 Ge\n0.000000 0.000000 0.000000 Pt\n","nsites":6,"nelements":3,"elements":["Ba","Ge","Pt"],"chemical_system":"Ba-Ge-Pt","density":6.264977459576329,"density_atomic":0.027706559448957245,"volume":216.55521722405032,"volume_molar":21.735433340593463,"formula_full":"Ba4 Ge1 Pt1","formula_reduced":"Ba4GePt","formula_anonymous":"ABC4","energy_above_hull":0.5244618716666665,"spacegroup":216},{"id":"jvasp-66570","created_at":"2022-09-04T14:35:46.362804Z","updated_at":"2022-09-04T14:35:46.362826Z","structure_string":"Ba4 Ge1 Pd1\n1.0\n-0.000000 4.819100 4.819100\n4.819100 -0.000000 4.819100\n4.819100 4.819100 0.000000\nBa Ge Pd\n4 1 1\ndirect\n0.125575 0.624808 0.624808 Ba\n0.624808 0.624808 0.624808 Ba\n0.624808 0.125575 0.624808 Ba\n0.624808 0.624808 0.125575 Ba\n0.250000 0.250000 0.250000 Ge\n0.000000 0.000000 0.000000 Pd\n","nsites":6,"nelements":3,"elements":["Ba","Ge","Pd"],"chemical_system":"Ba-Ge-Pd","density":5.403462528594273,"density_atomic":0.0268054708195518,"volume":223.83490446374196,"volume_molar":22.46608836136344,"formula_full":"Ba4 Ge1 Pd1","formula_reduced":"Ba4GePd","formula_anonymous":"ABC4","energy_above_hull":0.3489125883333332,"spacegroup":216}]}