{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=nelements&page=593","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=nelements&page=591","results":[{"id":"jvasp-113430","created_at":"2022-09-04T14:38:44.913179Z","updated_at":"2022-09-04T14:38:44.913208Z","structure_string":"Na1 F2\n1.0\n4.823331 0.000000 0.000000\n0.000000 3.878628 0.000000\n0.000000 0.000000 3.571876\nNa F\n1 2\ndirect\n0.000000 0.439990 0.000000 Na\n0.211362 -0.059995 0.000000 F\n0.788638 -0.059995 0.000000 F\n","nsites":3,"nelements":2,"elements":["Na","F"],"chemical_system":"F-Na","density":1.5155203702017541,"density_atomic":0.04489517682568921,"volume":66.82232284434143,"volume_molar":13.413781135959589,"formula_full":"Na1 F2","formula_reduced":"NaF2","formula_anonymous":"AB2","energy_above_hull":0.3113367608333332,"spacegroup":47},{"id":"jvasp-110751","created_at":"2022-09-04T14:38:38.057004Z","updated_at":"2022-09-04T14:38:38.057024Z","structure_string":"Ba6 Sm2\n1.0\n8.317359 0.000000 0.000000\n-4.158680 7.203044 0.000000\n-0.000000 -0.000000 6.639294\nBa Sm\n6 2\ndirect\n0.828361 0.171639 0.750000 Ba\n0.343278 0.171639 0.750000 Ba\n0.828361 0.656722 0.750000 Ba\n0.171639 0.828361 0.250000 Ba\n0.656722 0.828361 0.250000 Ba\n0.171639 0.343278 0.250000 Ba\n0.666667 0.333333 0.250000 Sm\n0.333333 0.666666 0.750000 Sm\n","nsites":8,"nelements":2,"elements":["Ba","Sm"],"chemical_system":"Ba-Sm","density":4.695214380357127,"density_atomic":0.020112523829248174,"volume":397.7621141890798,"volume_molar":29.9422430080229,"formula_full":"Ba6 Sm2","formula_reduced":"Ba3Sm","formula_anonymous":"AB3","energy_above_hull":0.2350416962499999,"spacegroup":194},{"id":"jvasp-110478","created_at":"2022-09-04T14:38:39.702539Z","updated_at":"2022-09-04T14:38:39.702560Z","structure_string":"Tl3 Cu1\n1.0\n4.700699 0.000000 -0.000000\n0.000000 4.700699 -0.000000\n0.000000 0.000000 4.700699\nTl Cu\n3 1\ndirect\n0.000000 0.500000 0.500000 Tl\n0.500000 0.000000 0.500000 Tl\n0.500000 0.500000 0.000000 Tl\n0.000000 0.000000 0.000000 Cu\n","nsites":4,"nelements":2,"elements":["Tl","Cu"],"chemical_system":"Cu-Tl","density":10.818207667972093,"density_atomic":0.03850992410029575,"volume":103.86932961961566,"volume_molar":15.63789309040407,"formula_full":"Tl3 Cu1","formula_reduced":"Tl3Cu","formula_anonymous":"AB3","energy_above_hull":0.0,"spacegroup":221},{"id":"jvasp-106270","created_at":"2022-09-04T14:38:38.059077Z","updated_at":"2022-09-04T14:38:38.059105Z","structure_string":"Nd1 Cd3\n1.0\n4.458739 -0.000000 2.574254\n1.486247 4.203739 2.574254\n-0.000000 -0.000000 5.148509\nNd Cd\n1 3\ndirect\n0.000000 0.000000 0.000000 Nd\n0.250000 0.250000 0.249999 Cd\n0.750001 0.750000 0.749998 Cd\n0.500000 0.500000 0.499999 Cd\n","nsites":4,"nelements":2,"elements":["Nd","Cd"],"chemical_system":"Cd-Nd","density":8.285020135209695,"density_atomic":0.04145059034916385,"volume":96.50043500721067,"volume_molar":14.528480075366357,"formula_full":"Nd1 Cd3","formula_reduced":"NdCd3","formula_anonymous":"AB3","energy_above_hull":0.0013549999999999,"spacegroup":225},{"id":"jvasp-20120","created_at":"2022-09-04T14:38:32.613102Z","updated_at":"2022-09-04T14:38:32.613121Z","structure_string":"Yb8 As6\n1.0\n7.183565 0.000000 -2.539774\n-3.591783 6.221150 -2.539774\n-0.000000 -0.000000 7.619322\nYb As\n8 6\ndirect\n0.354488 0.500000 0.000001 Yb\n0.645513 0.645512 0.645513 Yb\n0.500000 -0.000000 0.354488 Yb\n0.000000 0.354488 0.500000 Yb\n0.500000 -0.000000 0.854488 Yb\n0.000000 0.854488 0.500000 Yb\n0.854489 0.500000 0.000001 Yb\n0.145512 0.145512 0.145512 Yb\n0.750001 0.875000 0.125001 As\n0.625001 0.375000 0.250001 As\n0.875001 0.125000 0.750001 As\n0.125000 0.750000 0.875000 As\n0.375000 0.250000 0.625000 As\n0.250000 0.625000 0.375001 As\n","nsites":14,"nelements":2,"elements":["Yb","As"],"chemical_system":"As-Yb","density":8.94305261798978,"density_atomic":0.04111506766505038,"volume":340.50776990209397,"volume_molar":14.64704085874358,"formula_full":"Yb8 As6","formula_reduced":"Yb4As3","formula_anonymous":"A3B4","energy_above_hull":0.4415011500000002,"spacegroup":220},{"id":"jvasp-102912","created_at":"2022-09-04T14:38:39.629660Z","updated_at":"2022-09-04T14:38:39.629680Z","structure_string":"Cd2 S2\n1.0\n3.880404 0.000000 0.000000\n0.000000 3.880300 0.000000\n0.000000 0.000000 5.487704\nCd S\n2 2\ndirect\n0.250050 0.500000 0.500000 Cd\n0.749949 0.000000 0.000000 Cd\n0.249950 0.500000 0.000000 S\n0.750049 0.000000 0.500000 S\n","nsites":4,"nelements":2,"elements":["Cd","S"],"chemical_system":"Cd-S","density":5.806866970480671,"density_atomic":0.04840910640232866,"volume":82.6290815359398,"volume_molar":12.440098996973662,"formula_full":"Cd2 S2","formula_reduced":"CdS","formula_anonymous":"AB","energy_above_hull":0.0365749999999999,"spacegroup":225},{"id":"jvasp-114171","created_at":"2022-09-04T14:38:39.642818Z","updated_at":"2022-09-04T14:38:39.642849Z","structure_string":"Ca2 N1\n1.0\n3.379701 0.000000 0.000000\n0.000000 4.117474 0.000000\n0.000000 0.000000 6.951835\nCa N\n2 1\ndirect\n-0.033343 0.000000 0.784866 Ca\n-0.033343 0.000000 0.215134 Ca\n0.466685 0.000000 0.000000 N\n","nsites":3,"nelements":2,"elements":["Ca","N"],"chemical_system":"Ca-N","density":1.6162904205178623,"density_atomic":0.03101077738243017,"volume":96.74056096703062,"volume_molar":19.419509178160673,"formula_full":"Ca2 N1","formula_reduced":"Ca2N","formula_anonymous":"AB2","energy_above_hull":1.1379213633333327,"spacegroup":47},{"id":"jvasp-110872","created_at":"2022-09-04T14:38:38.070085Z","updated_at":"2022-09-04T14:38:38.070105Z","structure_string":"Tb2 Nd6\n1.0\n7.300381 0.000000 0.000000\n-3.650191 6.322315 0.000000\n-0.000000 -0.000000 5.869734\nTb Nd\n2 6\ndirect\n0.333333 0.666666 0.749999 Tb\n0.666667 0.333333 0.250000 Tb\n0.167393 0.334786 0.250000 Nd\n0.665213 0.832607 0.250000 Nd\n0.167393 0.832607 0.250000 Nd\n0.832607 0.665213 0.749999 Nd\n0.334787 0.167393 0.749999 Nd\n0.832607 0.167393 0.749999 Nd\n","nsites":8,"nelements":2,"elements":["Tb","Nd"],"chemical_system":"Nd-Tb","density":7.252786210442279,"density_atomic":0.029529079567934276,"volume":270.9193824208197,"volume_molar":20.393933194380573,"formula_full":"Tb2 Nd6","formula_reduced":"TbNd3","formula_anonymous":"AB3","energy_above_hull":1.5877057250000002,"spacegroup":194},{"id":"jvasp-110862","created_at":"2022-09-04T14:38:38.071410Z","updated_at":"2022-09-04T14:38:38.071420Z","structure_string":"Sn3 Te1\n1.0\n4.307725 0.020407 -4.792217\n-0.618173 4.263188 -4.792217\n-0.017577 -0.020407 6.443720\nSn Te\n3 1\ndirect\n0.749999 0.250000 0.499999 Sn\n0.250000 0.750000 0.500000 Sn\n0.500000 0.500001 -0.000000 Sn\n0.000000 0.000000 0.000000 Te\n","nsites":4,"nelements":2,"elements":["Sn","Te"],"chemical_system":"Sn-Te","density":6.831611215071847,"density_atomic":0.034019741896491616,"volume":117.57878740439567,"volume_molar":17.701900203484644,"formula_full":"Sn3 Te1","formula_reduced":"Sn3Te","formula_anonymous":"AB3","energy_above_hull":0.5494132166666668,"spacegroup":139},{"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-106855","created_at":"2022-09-04T14:38:44.874568Z","updated_at":"2022-09-04T14:38:44.874591Z","structure_string":"Pm2 S2\n1.0\n3.217727 -0.701066 -6.604059\n-0.807798 3.192604 -6.604059\n0.678102 0.701066 7.314885\nPm S\n2 2\ndirect\n0.344430 0.344430 -0.000001 Pm\n0.655570 0.655568 -0.000001 Pm\n0.136820 0.136820 -0.000000 S\n0.863180 0.863178 -0.000002 S\n","nsites":4,"nelements":2,"elements":["Pm","S"],"chemical_system":"Pm-S","density":5.491803322137839,"density_atomic":0.03735623939635593,"volume":107.07715938853838,"volume_molar":16.120843150468342,"formula_full":"Pm2 S2","formula_reduced":"PmS","formula_anonymous":"AB","energy_above_hull":0.2183355874999999,"spacegroup":139},{"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}]}