{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-updated_at&page=529","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-updated_at&page=527","results":[{"id":"jvasp-110539","created_at":"2022-09-04T14:38:39.665466Z","updated_at":"2022-09-04T14:38:39.665487Z","structure_string":"Sr1 Nd1 Mn1 Co1 O6\n1.0\n4.672582 0.000000 2.697717\n1.557527 4.405353 2.697717\n0.000000 0.000000 5.395434\nSr Nd Mn Co O\n1 1 1 1 6\ndirect\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Nd\n0.750000 0.749999 0.750001 Mn\n0.250000 0.250000 0.250000 Co\n0.500211 0.500211 -0.000211 O\n-0.000211 -0.000211 0.500211 O\n-0.000211 0.500211 0.500211 O\n0.500211 -0.000211 -0.000211 O\n0.500211 -0.000211 0.500211 O\n-0.000211 0.500211 -0.000211 O\n","nsites":10,"nelements":5,"elements":["Sr","Nd","Mn","Co","O"],"chemical_system":"Co-Mn-Nd-O-Sr","density":6.604525308519815,"density_atomic":0.0900401002627616,"volume":111.06162666209022,"volume_molar":6.688287487936763,"formula_full":"Sr1 Nd1 Mn1 Co1 O6","formula_reduced":"SrNdMnCoO6","formula_anonymous":"ABCDE6","energy_above_hull":2.5195846951379317,"spacegroup":216},{"id":"jvasp-115765","created_at":"2022-09-04T14:38:39.665010Z","updated_at":"2022-09-04T14:38:39.665026Z","structure_string":"Na1 C1 S2\n1.0\n3.265874 0.000000 -0.000000\n0.000000 3.265874 0.000000\n-0.000000 0.000000 6.358517\nNa C S\n1 1 2\ndirect\n0.499999 0.499999 0.574270 Na\n0.000000 0.000000 0.087603 C\n0.000000 0.000000 0.353630 S\n0.499999 0.499999 0.994498 S\n","nsites":4,"nelements":3,"elements":["Na","C","S"],"chemical_system":"C-Na-S","density":2.427177693913654,"density_atomic":0.05898007276065818,"volume":67.81951619883628,"volume_molar":10.210466820612307,"formula_full":"Na1 C1 S2","formula_reduced":"NaCS2","formula_anonymous":"ABC2","energy_above_hull":2.39314725,"spacegroup":99},{"id":"jvasp-112400","created_at":"2022-09-04T14:38:39.663345Z","updated_at":"2022-09-04T14:38:39.663362Z","structure_string":"Fe4 H8 O8\n1.0\n3.128321 0.000204 -0.526812\n1.543744 5.385102 -0.381308\n0.006766 0.124008 9.600389\nFe H O\n4 8 8\ndirect\n0.435188 0.491504 0.505152 Fe\n0.171296 0.258497 0.744851 Fe\n0.935333 -0.008673 0.005144 Fe\n0.671151 0.758674 0.244858 Fe\n0.238480 0.406896 0.027084 H\n0.479400 0.676589 0.778991 H\n0.979081 0.176871 0.278854 H\n0.738291 0.907065 0.527098 H\n0.868173 0.842928 0.722901 H\n0.127065 0.073407 0.471009 H\n0.367979 0.343105 0.222915 H\n0.627374 0.573131 0.971143 H\n0.533368 0.517830 0.728239 O\n0.317132 0.498574 0.276606 O\n0.073114 0.232167 0.521762 O\n0.817256 -0.001595 0.776588 O\n0.573255 0.732014 0.021771 O\n0.033224 0.017989 0.228228 O\n0.789226 0.751592 0.473413 O\n0.289351 0.251428 0.973395 O\n","nsites":20,"nelements":3,"elements":["Fe","H","O"],"chemical_system":"Fe-H-O","density":3.689012183184555,"density_atomic":0.12361356417121441,"volume":161.79454199943982,"volume_molar":4.871747530601793,"formula_full":"Fe4 H8 O8","formula_reduced":"Fe(HO)2","formula_anonymous":"AB2C2","energy_above_hull":2.6622064999999995,"spacegroup":12},{"id":"jvasp-112388","created_at":"2022-09-04T14:38:39.661694Z","updated_at":"2022-09-04T14:38:39.661719Z","structure_string":"Mg8 Si6\n1.0\n5.627553 0.136823 -1.475139\n-0.833267 7.688746 -4.060503\n0.013172 0.269036 6.373993\nMg Si\n8 6\ndirect\n0.295792 0.734703 0.573669 Mg\n0.116914 0.167337 0.874179 Mg\n0.304963 0.690296 0.044010 Mg\n0.353155 0.396873 0.566521 Mg\n0.840751 0.530231 0.546279 Mg\n0.621034 0.110064 -0.000157 Mg\n0.808431 0.487479 0.039315 Mg\n0.787503 0.850970 0.421995 Mg\n-0.030676 0.187484 0.416283 Si\n0.680785 0.187398 0.629423 Si\n0.703433 0.757590 0.927595 Si\n0.407029 0.440875 0.183684 Si\n0.311485 0.004063 0.469128 Si\n0.049354 0.954550 0.058144 Si\n","nsites":14,"nelements":2,"elements":["Mg","Si"],"chemical_system":"Mg-Si","density":2.128603123254994,"density_atomic":0.04944509809475585,"volume":283.1423243042335,"volume_molar":12.179449514811878,"formula_full":"Mg8 Si6","formula_reduced":"Mg4Si3","formula_anonymous":"A3B4","energy_above_hull":1.2467558408163262,"spacegroup":1},{"id":"jvasp-115772","created_at":"2022-09-04T14:38:39.659136Z","updated_at":"2022-09-04T14:38:39.659157Z","structure_string":"Si1 C2\n1.0\n4.649210 0.000000 0.642543\n0.000000 2.952678 0.000000\n0.313651 0.000000 2.449407\nSi C\n1 2\ndirect\n0.466672 0.000000 0.133311 Si\n-0.104197 0.000000 -0.081422 C\n0.037525 0.000000 0.348112 C\n","nsites":3,"nelements":2,"elements":["Si","C"],"chemical_system":"C-Si","density":2.6196472879941086,"density_atomic":0.09082799810757072,"volume":33.02946296853308,"volume_molar":6.6302691741237885,"formula_full":"Si1 C2","formula_reduced":"SiC2","formula_anonymous":"AB2","energy_above_hull":4.695382866666667,"spacegroup":65},{"id":"jvasp-100544","created_at":"2022-09-04T14:38:39.656454Z","updated_at":"2022-09-04T14:38:39.656475Z","structure_string":"Sr2 Mn1 Sb1 O6\n1.0\n4.814811 -0.031884 -3.075183\n-1.461620 4.587710 -3.075183\n0.023468 0.031884 5.713021\nSr Mn Sb O\n2 1 1 6\ndirect\n0.250000 0.750000 0.500000 Sr\n0.750000 0.250000 0.500001 Sr\n0.500000 0.500000 0.000001 Mn\n0.000000 0.000000 0.000000 Sb\n0.238568 0.238568 0.000000 O\n0.761432 0.761433 0.000001 O\n0.209386 0.301583 0.510969 O\n0.790615 0.698417 0.489033 O\n0.301583 0.790615 0.092198 O\n0.698417 0.209385 0.907803 O\n","nsites":10,"nelements":4,"elements":["Sr","Mn","Sb","O"],"chemical_system":"Mn-O-Sb-Sr","density":5.862460132590528,"density_atomic":0.07881635476938803,"volume":126.87722020714362,"volume_molar":7.640724793249353,"formula_full":"Sr2 Mn1 Sb1 O6","formula_reduced":"Sr2MnSbO6","formula_anonymous":"ABC2D6","energy_above_hull":2.058349696137931,"spacegroup":87},{"id":"jvasp-21617","created_at":"2022-09-04T14:38:39.650771Z","updated_at":"2022-09-04T14:38:39.650798Z","structure_string":"Ba2 Li1 Os1 O6\n1.0\n4.995283 0.000000 2.884028\n1.665094 4.709598 2.884028\n-0.000000 -0.000000 5.768055\nBa Li Os O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.749999 0.750000 0.750001 Ba\n0.499999 0.500000 0.500001 Li\n0.000000 0.000000 0.000000 Os\n0.765066 0.234934 0.765068 O\n0.234933 0.765067 0.765068 O\n0.234933 0.765067 0.234934 O\n0.765066 0.234934 0.234934 O\n0.765065 0.765067 0.234934 O\n0.234933 0.234934 0.765067 O\n","nsites":10,"nelements":4,"elements":["Ba","Li","Os","O"],"chemical_system":"Ba-Li-O-Os","density":6.94844340994359,"density_atomic":0.07369307372359558,"volume":135.69796311533315,"volume_molar":8.171922347258244,"formula_full":"Ba2 Li1 Os1 O6","formula_reduced":"Ba2LiOsO6","formula_anonymous":"ABC2D6","energy_above_hull":2.246241794,"spacegroup":225},{"id":"jvasp-115819","created_at":"2022-09-04T14:38:39.650724Z","updated_at":"2022-09-04T14:38:39.650735Z","structure_string":"Ca1 Rh1\n1.0\n5.291772 0.000000 0.000000\n0.000000 5.291772 0.000000\n0.000000 0.000000 8.466836\nCa Rh\n1 1\ndirect\n0.000000 0.000000 -0.028830 Ca\n0.000000 0.000000 0.232762 Rh\n","nsites":2,"nelements":2,"elements":["Ca","Rh"],"chemical_system":"Ca-Rh","density":1.0014093116976541,"density_atomic":0.008435417842621064,"volume":237.09554610261696,"volume_molar":71.39113760995143,"formula_full":"Ca1 Rh1","formula_reduced":"CaRh","formula_anonymous":"AB","energy_above_hull":1.97805171,"spacegroup":99},{"id":"jvasp-110345","created_at":"2022-09-04T14:38:39.649589Z","updated_at":"2022-09-04T14:38:39.649602Z","structure_string":"K2 Tl1 In1 F6\n1.0\n5.722329 -0.000000 3.303788\n1.907443 5.395063 3.303788\n-0.000000 -0.000000 6.607576\nK Tl In F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500001 In\n0.723899 0.276101 0.276102 F\n0.276101 0.276101 0.723900 F\n0.276101 0.723898 0.723900 F\n0.276101 0.723898 0.276102 F\n0.723899 0.276101 0.723900 F\n0.723899 0.723898 0.276102 F\n","nsites":10,"nelements":4,"elements":["K","Tl","In","F"],"chemical_system":"F-In-K-Tl","density":4.1628272646295965,"density_atomic":0.04902171366574413,"volume":203.99123678509628,"volume_molar":12.284639417263397,"formula_full":"K2 Tl1 In1 F6","formula_reduced":"K2TlInF6","formula_anonymous":"ABC2D6","energy_above_hull":0.0,"spacegroup":225},{"id":"jvasp-110509","created_at":"2022-09-04T14:38:39.649557Z","updated_at":"2022-09-04T14:38:39.649572Z","structure_string":"Tl2 Ge1 F6\n1.0\n5.899648 -0.000000 0.000000\n-2.949824 5.109245 -0.000000\n0.000000 -0.000000 4.819534\nTl Ge F\n2 1 6\ndirect\n0.333334 0.666668 0.298658 Tl\n0.666668 0.333333 0.701341 Tl\n0.000000 0.000000 0.000000 Ge\n0.850852 0.149149 0.214646 F\n0.149149 0.850852 0.785353 F\n0.850852 0.701704 0.214646 F\n0.149149 0.298297 0.785353 F\n0.298297 0.149149 0.214646 F\n0.701704 0.850852 0.785353 F\n","nsites":9,"nelements":3,"elements":["Tl","Ge","F"],"chemical_system":"F-Ge-Tl","density":6.805622821125487,"density_atomic":0.06195190024929234,"volume":145.27399424043986,"volume_molar":9.720671578703978,"formula_full":"Tl2 Ge1 F6","formula_reduced":"Tl2GeF6","formula_anonymous":"AB2C6","energy_above_hull":0.0,"spacegroup":164},{"id":"jvasp-114184","created_at":"2022-09-04T14:38:39.649115Z","updated_at":"2022-09-04T14:38:39.649133Z","structure_string":"Sr1 Ca1 S1\n1.0\n4.202976 0.000000 0.000000\n0.000000 4.202976 0.000000\n0.000000 0.000000 8.843740\nSr Ca S\n1 1 1\ndirect\n0.000000 0.000000 0.046510 Sr\n0.000000 0.000000 0.476457 Ca\n0.000000 0.000000 0.752204 S\n","nsites":3,"nelements":3,"elements":["Sr","Ca","S"],"chemical_system":"Ca-S-Sr","density":1.6981479227495948,"density_atomic":0.019203105523119345,"volume":156.2247312752714,"volume_molar":31.360244064428624,"formula_full":"Sr1 Ca1 S1","formula_reduced":"SrCaS","formula_anonymous":"ABC","energy_above_hull":0.234420291111111,"spacegroup":99},{"id":"jvasp-115839","created_at":"2022-09-04T14:38:39.645715Z","updated_at":"2022-09-04T14:38:39.645736Z","structure_string":"Rb1 Ag1 Se1\n1.0\n5.710068 2.886240 0.000000\n2.173164 6.017084 0.000000\n0.000000 0.000000 4.651527\nRb Ag Se\n1 1 1\ndirect\n-0.194120 0.119018 0.000000 Rb\n0.529035 -0.158030 0.000000 Ag\n0.094863 0.407866 0.000000 Se\n","nsites":3,"nelements":3,"elements":["Rb","Ag","Se"],"chemical_system":"Ag-Rb-Se","density":3.4610651770442264,"density_atomic":0.022963637015855052,"volume":130.6413264557646,"volume_molar":26.224681899657547,"formula_full":"Rb1 Ag1 Se1","formula_reduced":"RbAgSe","formula_anonymous":"ABC","energy_above_hull":0.1464651044444446,"spacegroup":38}]}