{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=density&page=3562","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=density&page=3560","results":[{"id":"jvasp-39855","created_at":"2022-09-04T14:37:43.269047Z","updated_at":"2022-09-04T14:37:43.269067Z","structure_string":"Ti2 Tc1 Pd1\n1.0\n0.000000 3.123255 3.123255\n3.123255 -0.000000 3.123255\n3.123255 3.123255 -0.000000\nTi Tc Pd\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.499999 0.499999 0.499999 Ti\n0.749998 0.749998 0.749998 Tc\n0.250000 0.250000 0.250000 Pd\n","nsites":4,"nelements":3,"elements":["Ti","Tc","Pd"],"chemical_system":"Pd-Tc-Ti","density":8.179766480670605,"density_atomic":0.06564590863030484,"volume":60.9329672398416,"volume_molar":9.173672641069869,"formula_full":"Ti2 Tc1 Pd1","formula_reduced":"Ti2TcPd","formula_anonymous":"ABC2","energy_above_hull":3.5527684666666666,"spacegroup":225},{"id":"jvasp-102139","created_at":"2022-09-04T14:37:11.470601Z","updated_at":"2022-09-04T14:37:11.470611Z","structure_string":"Zr2 Tc1 Ni1\n1.0\n3.984106 -0.000000 2.300225\n1.328035 3.756251 2.300225\n-0.000000 -0.000000 4.600449\nZr Tc Ni\n2 1 1\ndirect\n0.250001 0.250000 0.250000 Zr\n0.750002 0.750000 0.750001 Zr\n0.000000 0.000000 0.000000 Tc\n0.500001 0.500000 0.500001 Ni\n","nsites":4,"nelements":3,"elements":["Zr","Tc","Ni"],"chemical_system":"Ni-Tc-Zr","density":8.1798284571099,"density_atomic":0.05809975234918848,"volume":68.84710929505142,"volume_molar":10.365174577347602,"formula_full":"Zr2 Tc1 Ni1","formula_reduced":"Zr2TcNi","formula_anonymous":"ABC2","energy_above_hull":3.665743225,"spacegroup":225},{"id":"jvasp-49983","created_at":"2022-09-04T14:38:36.144081Z","updated_at":"2022-09-04T14:38:36.144105Z","structure_string":"Hf2 Zr2 O8\n1.0\n-2.546962 2.546962 5.221453\n2.546962 -2.546962 5.221453\n2.546962 2.546962 -5.221453\nHf Zr O\n2 2 8\ndirect\n0.000000 0.000000 0.000000 Hf\n0.749999 0.250000 0.500000 Hf\n0.500000 0.500000 0.000000 Zr\n0.250000 0.749999 0.500000 Zr\n0.651499 0.145397 0.995295 O\n0.599898 0.593796 0.495296 O\n0.854602 0.849898 0.506102 O\n0.406203 0.901499 0.006102 O\n0.343796 0.348500 0.493898 O\n0.895397 0.400101 0.993897 O\n0.098501 0.104603 0.504704 O\n0.150101 0.656203 0.004704 O\n","nsites":12,"nelements":3,"elements":["Hf","Zr","O"],"chemical_system":"Hf-O-Zr","density":8.180015017762624,"density_atomic":0.08856965452726973,"volume":135.48658470046666,"volume_molar":6.799327367982272,"formula_full":"Hf2 Zr2 O8","formula_reduced":"HfZrO4","formula_anonymous":"ABC4","energy_above_hull":2.9733885833333336,"spacegroup":88},{"id":"jvasp-112461","created_at":"2022-09-04T14:38:40.320686Z","updated_at":"2022-09-04T14:38:40.320707Z","structure_string":"Y2 Pa2 O8\n1.0\n4.915046 0.001559 -4.387464\n-0.984587 4.815420 -4.387464\n-0.001272 -0.001559 6.588438\nY Pa O\n2 2 8\ndirect\n0.000000 0.000000 0.000000 Y\n0.750001 0.250000 0.500001 Y\n0.500000 0.500000 0.000001 Pa\n0.250000 0.750000 0.500001 Pa\n0.375000 0.384389 0.509390 O\n0.875000 0.865611 0.490612 O\n0.134390 0.125000 0.509390 O\n0.615612 0.125000 0.990612 O\n0.875000 0.384389 0.009390 O\n0.615611 0.625000 0.490612 O\n0.134389 0.625000 0.009389 O\n0.375000 0.865611 0.990612 O\n","nsites":12,"nelements":3,"elements":["Y","Pa","O"],"chemical_system":"O-Pa-Y","density":8.180061123794026,"density_atomic":0.07698322471404291,"volume":155.87811558393992,"volume_molar":7.822666278750297,"formula_full":"Y2 Pa2 O8","formula_reduced":"YPaO4","formula_anonymous":"ABC4","energy_above_hull":2.5337237583333336,"spacegroup":141},{"id":"jvasp-12477","created_at":"2022-09-04T14:38:11.784597Z","updated_at":"2022-09-04T14:38:11.784622Z","structure_string":"Bi2 Sb2 O8\n1.0\n4.624058 -0.000000 -1.878551\n-0.566834 5.320683 -1.395265\n-0.035801 -0.045114 6.542218\nBi Sb O\n2 2 8\ndirect\n0.753904 0.250000 0.500000 Bi\n0.246097 0.750000 0.500000 Bi\n0.000000 0.000000 0.000000 Sb\n0.500001 0.500000 -0.000000 Sb\n0.810188 0.536505 0.308533 O\n0.001655 0.963495 0.691466 O\n0.189814 0.463495 0.691467 O\n0.998347 0.036505 0.308534 O\n0.365406 0.829796 0.131412 O\n0.733994 0.670203 0.868588 O\n0.634596 0.170204 0.868589 O\n0.266007 0.329797 0.131412 O\n","nsites":12,"nelements":3,"elements":["Bi","Sb","O"],"chemical_system":"Bi-O-Sb","density":8.180067876241052,"density_atomic":0.07487729105498069,"volume":160.26220808641,"volume_molar":8.042679796706427,"formula_full":"Bi2 Sb2 O8","formula_reduced":"BiSbO4","formula_anonymous":"ABC4","energy_above_hull":1.994784066666667,"spacegroup":15},{"id":"jvasp-37233","created_at":"2022-09-04T14:38:02.790469Z","updated_at":"2022-09-04T14:38:02.790490Z","structure_string":"Sm2 Ag2 O5\n1.0\n4.126250 0.000000 -0.000000\n0.000000 4.126250 -0.000000\n-0.000000 -0.000000 7.111403\nSm Ag O\n2 2 5\ndirect\n0.000000 0.000000 0.000000 Sm\n0.000000 0.000000 0.500000 Sm\n0.500000 0.500000 0.193792 Ag\n0.500000 0.500000 0.806208 Ag\n0.500000 0.000000 0.215827 O\n0.500000 0.000000 0.784173 O\n0.500000 0.500000 0.500000 O\n0.000000 0.500000 0.215827 O\n0.000000 0.500000 0.784173 O\n","nsites":9,"nelements":3,"elements":["Sm","Ag","O"],"chemical_system":"Ag-O-Sm","density":8.180112014679246,"density_atomic":0.07433205578472767,"volume":121.07831412687968,"volume_molar":8.101673896172956,"formula_full":"Sm2 Ag2 O5","formula_reduced":"Sm2Ag2O5","formula_anonymous":"A2B2C5","energy_above_hull":1.7234577522222223,"spacegroup":123},{"id":"jvasp-64890","created_at":"2022-09-04T14:36:17.837015Z","updated_at":"2022-09-04T14:36:17.837040Z","structure_string":"Be1 Cu4 Rh1\n1.0\n0.000000 3.336980 3.336980\n3.336980 0.000000 3.336980\n3.336980 3.336980 -0.000000\nBe Cu Rh\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.374755 0.374755 0.374755 Cu\n0.374755 0.875736 0.374755 Cu\n0.374755 0.374755 0.875736 Cu\n0.875736 0.374755 0.374755 Cu\n0.750000 0.750000 0.750000 Rh\n","nsites":6,"nelements":3,"elements":["Be","Cu","Rh"],"chemical_system":"Be-Cu-Rh","density":8.180126405289082,"density_atomic":0.08073473860346947,"volume":74.31745124572879,"volume_molar":7.459169205436935,"formula_full":"Be1 Cu4 Rh1","formula_reduced":"BeCu4Rh","formula_anonymous":"ABC4","energy_above_hull":0.5936684833333336,"spacegroup":216},{"id":"jvasp-21949","created_at":"2022-09-04T14:37:30.261040Z","updated_at":"2022-09-04T14:37:30.261049Z","structure_string":"B6 Ru4\n1.0\n1.462516 -2.533152 -0.000000\n1.462516 2.533152 0.000000\n0.000000 0.000000 12.852480\nB Ru\n6 4\ndirect\n0.666668 0.333335 0.250000 B\n0.333335 0.666668 0.750000 B\n0.333335 0.666668 0.530188 B\n0.666668 0.333335 0.030188 B\n0.333335 0.666668 0.969812 B\n0.666668 0.333335 0.469812 B\n0.333335 0.666668 0.359946 Ru\n0.666668 0.333335 0.859946 Ru\n0.666668 0.333335 0.640054 Ru\n0.333335 0.666668 0.140054 Ru\n","nsites":10,"nelements":2,"elements":["B","Ru"],"chemical_system":"B-Ru","density":8.180470951342672,"density_atomic":0.10500771096652484,"volume":95.23110167774134,"volume_molar":5.734950990332305,"formula_full":"B6 Ru4","formula_reduced":"B3Ru2","formula_anonymous":"A2B3","energy_above_hull":4.71924775,"spacegroup":194},{"id":"jvasp-100435","created_at":"2022-09-04T14:36:54.465820Z","updated_at":"2022-09-04T14:36:54.465840Z","structure_string":"Al1 Co1 Ni6\n1.0\n3.538848 0.000000 -0.000000\n0.000000 3.538848 0.000000\n0.000000 0.000000 7.100251\nAl Co Ni\n1 1 6\ndirect\n0.000000 0.000000 0.000000 Al\n0.000000 0.000000 0.500000 Co\n0.500000 0.500000 0.000000 Ni\n0.500000 0.500000 0.500000 Ni\n0.500000 0.000000 0.255684 Ni\n0.500000 0.000000 0.744316 Ni\n0.000000 0.500000 0.255684 Ni\n0.000000 0.500000 0.744316 Ni\n","nsites":8,"nelements":3,"elements":["Al","Co","Ni"],"chemical_system":"Al-Co-Ni","density":8.18088295654732,"density_atomic":0.08996891162039397,"volume":88.91960407117536,"volume_molar":6.693579650501087,"formula_full":"Al1 Co1 Ni6","formula_reduced":"AlCoNi6","formula_anonymous":"ABC6","energy_above_hull":1.6042397625000002,"spacegroup":123},{"id":"jvasp-3333","created_at":"2022-09-04T14:36:20.328743Z","updated_at":"2022-09-04T14:36:20.328766Z","structure_string":"Tb2 Te1 O2\n1.0\n3.771277 -0.000000 -1.137240\n-0.342938 3.755652 -1.137240\n0.005162 0.005655 6.838827\nTb Te O\n2 1 2\ndirect\n0.661308 0.661308 0.322615 Tb\n0.338692 0.338693 0.677385 Tb\n0.000000 0.000000 0.000000 Te\n0.250000 0.750000 0.500000 O\n0.750000 0.250001 0.500000 O\n","nsites":5,"nelements":3,"elements":["Tb","Te","O"],"chemical_system":"O-Tb-Te","density":8.180949609822681,"density_atomic":0.05159376030118874,"volume":96.91094370349272,"volume_molar":11.67222688333738,"formula_full":"Tb2 Te1 O2","formula_reduced":"Tb2TeO2","formula_anonymous":"AB2C2","energy_above_hull":1.1987883133333337,"spacegroup":139},{"id":"jvasp-52279","created_at":"2022-09-04T14:36:45.403331Z","updated_at":"2022-09-04T14:36:45.403355Z","structure_string":"Bi4 O2 F8\n1.0\n0.000000 5.708912 0.000000\n-6.494000 2.854456 0.274390\n-1.097730 0.000000 5.630201\nBi O F\n4 2 8\ndirect\n0.888771 0.787813 0.584343 Bi\n0.323417 0.787813 0.084343 Bi\n0.676583 0.212188 0.915657 Bi\n0.111229 0.212188 0.415657 Bi\n0.036009 0.000000 0.750000 O\n0.963990 0.000000 0.250000 O\n0.703059 0.843724 0.953589 F\n0.453216 0.843724 0.453589 F\n0.274831 0.568151 0.832943 F\n0.157018 0.568151 0.332943 F\n0.842982 0.431849 0.667056 F\n0.725169 0.431849 0.167057 F\n0.546784 0.156276 0.546411 F\n0.296941 0.156276 0.046411 F\n","nsites":14,"nelements":3,"elements":["Bi","O","F"],"chemical_system":"Bi-F-O","density":8.181124247760598,"density_atomic":0.06762870754726232,"volume":207.01268008435767,"volume_molar":8.904710704091789,"formula_full":"Bi4 O2 F8","formula_reduced":"Bi2OF4","formula_anonymous":"AB2C4","energy_above_hull":0.2576618900000001,"spacegroup":15},{"id":"jvasp-99933","created_at":"2022-09-04T14:36:38.240890Z","updated_at":"2022-09-04T14:36:38.240919Z","structure_string":"Sm1 Ga3 Pd1\n1.0\n3.932267 -0.011688 -4.722386\n-0.523736 3.897250 -4.722386\n0.010253 0.011688 6.145205\nSm Ga Pd\n1 3 1\ndirect\n0.000000 0.000000 0.000000 Sm\n0.613733 0.613733 -0.000001 Ga\n0.386267 0.386267 -0.000001 Ga\n0.750000 0.250000 0.499999 Ga\n0.249999 0.750000 0.499998 Pd\n","nsites":5,"nelements":3,"elements":["Sm","Ga","Pd"],"chemical_system":"Ga-Pd-Sm","density":8.181259321737357,"density_atomic":0.052869193030343126,"volume":94.57303418893416,"volume_molar":11.390642479721079,"formula_full":"Sm1 Ga3 Pd1","formula_reduced":"SmGa3Pd","formula_anonymous":"ABC3","energy_above_hull":0.2668243099999998,"spacegroup":119}]}