{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-structure_string&page=3480","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-structure_string&page=3478","results":[{"id":"jvasp-98020","created_at":"2022-09-04T14:35:42.140105Z","updated_at":"2022-09-04T14:35:42.140123Z","structure_string":"Cu6 H4 C4 O16\n1.0\n4.930183 0.000000 -0.135691\n0.000000 5.872879 0.000000\n0.163218 0.000000 10.505212\nCu H C O\n6 4 4 16\ndirect\n0.000000 0.000000 0.000000 Cu\n0.752005 0.001940 0.415292 Cu\n0.247995 0.501940 0.084708 Cu\n0.247995 -0.001940 0.584708 Cu\n0.752005 0.498060 0.915292 Cu\n0.000000 0.500000 0.500000 Cu\n0.198799 0.700621 0.871233 H\n0.801201 0.200621 0.628767 H\n0.801201 0.299380 0.128767 H\n0.198798 0.799380 0.371233 H\n0.666565 0.806048 0.184251 C\n0.333435 0.193952 0.815749 C\n0.666565 0.693952 0.684251 C\n0.333434 0.306048 0.315749 C\n0.560975 0.797077 0.296018 O\n0.439025 0.297077 0.203982 O\n0.454283 0.280617 0.914476 O\n0.545717 0.780617 0.585524 O\n0.545716 0.719383 0.085524 O\n0.454283 0.219383 0.414476 O\n0.899732 0.593884 0.671056 O\n0.899732 0.906117 0.171056 O\n0.076953 0.689125 0.945319 O\n0.923047 0.189125 0.554681 O\n0.923047 0.310875 0.054681 O\n0.076953 0.810875 0.445319 O\n0.439025 0.202923 0.703982 O\n0.560975 0.702923 0.796018 O\n0.100268 0.093883 0.828944 O\n0.100267 0.406117 0.328944 O\n","nsites":30,"nelements":4,"elements":["Cu","H","C","O"],"chemical_system":"C-Cu-H-O","density":3.7616518464673985,"density_atomic":0.0985863233081451,"volume":304.3018442449758,"volume_molar":6.1084951319028,"formula_full":"Cu6 H4 C4 O16","formula_reduced":"Cu3H2(CO4)2","formula_anonymous":"A2B2C3D8","energy_above_hull":2.848847956666667,"spacegroup":14},{"id":"jvasp-109946","created_at":"2022-09-04T14:38:18.317696Z","updated_at":"2022-09-04T14:38:18.317718Z","structure_string":"Cu6 Ge2\n1.0\n5.297147 0.000000 0.000000\n-2.648573 4.587464 0.000000\n0.000000 0.000000 4.223344\nCu Ge\n6 2\ndirect\n0.163924 0.327849 0.250000 Cu\n0.672151 0.836075 0.250000 Cu\n0.163924 0.836075 0.250000 Cu\n0.836077 0.672150 0.749999 Cu\n0.327849 0.163924 0.749999 Cu\n0.836076 0.163924 0.749999 Cu\n0.333334 0.666666 0.749999 Ge\n0.666667 0.333333 0.250000 Ge\n","nsites":8,"nelements":2,"elements":["Cu","Ge"],"chemical_system":"Cu-Ge","density":8.519664876066615,"density_atomic":0.0779504875142345,"volume":102.62924909275421,"volume_molar":7.725597301620852,"formula_full":"Cu6 Ge2","formula_reduced":"Cu3Ge","formula_anonymous":"AB3","energy_above_hull":0.0,"spacegroup":194},{"id":"jvasp-17483","created_at":"2022-09-04T14:37:34.769258Z","updated_at":"2022-09-04T14:37:34.769276Z","structure_string":"Cu6 Ge2\n1.0\n4.245657 0.000000 0.000000\n0.000000 4.615224 0.000000\n0.000000 0.000000 5.327187\nCu Ge\n6 2\ndirect\n0.000000 0.168527 0.500000 Cu\n0.500000 0.831472 0.000000 Cu\n0.500000 0.337204 0.248491 Cu\n0.500000 0.337204 0.751510 Cu\n0.000000 0.662795 0.251509 Cu\n0.000000 0.662795 0.748491 Cu\n0.500000 0.828190 0.500000 Ge\n0.000000 0.171809 0.000000 Ge\n","nsites":8,"nelements":2,"elements":["Cu","Ge"],"chemical_system":"Cu-Ge","density":8.376412024944894,"density_atomic":0.07663979868489904,"volume":104.3844078047703,"volume_molar":7.857719961869616,"formula_full":"Cu6 Ge2","formula_reduced":"Cu3Ge","formula_anonymous":"AB3","energy_above_hull":0.003035,"spacegroup":59},{"id":"jvasp-116958","created_at":"2022-09-04T14:38:47.461783Z","updated_at":"2022-09-04T14:38:47.461799Z","structure_string":"Cu6 C4 O16\n1.0\n5.592391 -0.000000 0.000000\n0.000000 4.935289 0.394296\n-0.000000 -0.068358 10.538568\nCu C O\n6 4 16\ndirect\n0.500000 -0.000000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.004702 0.758046 0.583694 Cu\n0.504702 0.241953 0.916306 Cu\n0.995297 0.241953 0.416306 Cu\n0.495297 0.758047 0.083694 Cu\n0.687385 0.675130 0.318838 C\n0.187385 0.324870 0.181162 C\n0.812615 0.675129 0.818839 C\n0.312615 0.324870 0.681162 C\n0.725516 0.535143 0.916921 O\n0.295702 0.410938 0.793153 O\n0.795701 0.589062 0.706848 O\n0.774484 0.535143 0.416921 O\n0.274484 0.464857 0.083079 O\n0.225516 0.464856 0.583079 O\n0.580676 0.903204 0.333821 O\n0.683699 0.061296 0.044732 O\n0.419324 0.096796 0.666179 O\n0.919324 0.903204 0.833821 O\n0.183700 0.938704 0.455269 O\n0.204298 0.410938 0.293153 O\n0.816300 0.061296 0.544732 O\n0.316300 0.938703 0.955269 O\n0.080676 0.096796 0.166179 O\n0.704298 0.589062 0.206848 O\n","nsites":26,"nelements":3,"elements":["Cu","C","O"],"chemical_system":"C-Cu-O","density":3.91037976271778,"density_atomic":0.08934219640875624,"volume":291.0159034040918,"volume_molar":6.7405335911461695,"formula_full":"Cu6 C4 O16","formula_reduced":"Cu3(CO4)2","formula_anonymous":"A2B3C8","energy_above_hull":2.768034565384616,"spacegroup":14},{"id":"jvasp-29941","created_at":"2022-09-04T14:38:15.670180Z","updated_at":"2022-09-04T14:38:15.670200Z","structure_string":"Cu6 Bi2 Se4 I2 O16\n1.0\n6.446871 -0.000000 0.000000\n0.000000 7.334498 0.000000\n0.000000 0.000000 9.820771\nCu Bi Se I O\n6 2 4 2 16\ndirect\n0.250000 0.794665 0.250000 Cu\n0.750000 0.205335 0.750000 Cu\n0.500000 0.000000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.000000 0.000000 Cu\n0.250000 0.250571 0.250000 Bi\n0.750000 0.749429 0.750000 Bi\n0.250000 0.607112 0.943504 Se\n0.750000 0.392889 0.056496 Se\n0.750000 0.392889 0.443504 Se\n0.250000 0.607112 0.556495 Se\n0.250000 0.168002 0.750000 I\n0.750000 0.831998 0.250000 I\n0.539665 0.247272 0.415599 O\n0.250000 0.992258 0.113727 O\n0.960335 0.247272 0.084401 O\n0.750000 0.007743 0.613727 O\n0.750000 0.411898 0.617668 O\n0.460335 0.752728 0.584401 O\n0.250000 0.588103 0.382332 O\n0.039665 0.752728 0.915599 O\n0.539665 0.247272 0.084401 O\n0.750000 0.411898 0.882332 O\n0.750000 0.007743 0.886273 O\n0.250000 0.992258 0.386273 O\n0.960335 0.247272 0.415599 O\n0.039665 0.752728 0.584401 O\n0.460335 0.752728 0.915599 O\n0.250000 0.588103 0.117668 O\n","nsites":30,"nelements":5,"elements":["Cu","Bi","Se","I","O"],"chemical_system":"Bi-Cu-I-O-Se","density":5.810378176017859,"density_atomic":0.06460353696295347,"volume":464.370859713197,"volume_molar":9.321688940116951,"formula_full":"Cu6 Bi2 Se4 I2 O16","formula_reduced":"Cu3BiSe2IO8","formula_anonymous":"ABC2D3E8","energy_above_hull":1.7142671105555556,"spacegroup":59},{"id":"jvasp-99062","created_at":"2022-09-04T14:35:56.695854Z","updated_at":"2022-09-04T14:35:56.695882Z","structure_string":"Cu6 Bi2 Se4 Cl2 O16\n1.0\n6.390520 0.000000 0.000000\n-0.000000 7.214070 0.000000\n0.000000 0.000000 9.728592\nCu Bi Se Cl O\n6 2 4 2 16\ndirect\n0.000000 0.000000 0.000000 Cu\n0.500000 0.000000 0.000000 Cu\n0.500000 0.000000 0.500000 Cu\n0.000000 0.000000 0.500000 Cu\n0.750000 0.207424 0.750000 Cu\n0.250000 0.792576 0.250000 Cu\n0.750000 0.745169 0.750000 Bi\n0.250000 0.254831 0.250000 Bi\n0.250000 0.601184 0.941925 Se\n0.750000 0.398816 0.058075 Se\n0.750000 0.398816 0.441925 Se\n0.250000 0.601184 0.558075 Se\n0.750000 0.844259 0.250000 Cl\n0.250000 0.155741 0.750000 Cl\n0.038948 0.750124 0.583913 O\n0.250000 0.583611 0.118048 O\n0.750000 0.416389 0.881952 O\n0.961052 0.249876 0.083913 O\n0.461052 0.750124 0.916087 O\n0.538948 0.249876 0.416087 O\n0.038948 0.750124 0.916087 O\n0.750000 0.009501 0.886965 O\n0.461052 0.750124 0.583913 O\n0.961052 0.249876 0.416087 O\n0.250000 0.990499 0.386965 O\n0.750000 0.009501 0.613034 O\n0.250000 0.990499 0.113034 O\n0.750000 0.416389 0.618048 O\n0.538948 0.249876 0.083913 O\n0.250000 0.583611 0.381952 O\n","nsites":30,"nelements":5,"elements":["Cu","Bi","Se","Cl","O"],"chemical_system":"Bi-Cl-Cu-O-Se","density":5.338751981284012,"density_atomic":0.06688900166479891,"volume":448.50422720224026,"volume_molar":9.00318529222304,"formula_full":"Cu6 Bi2 Se4 Cl2 O16","formula_reduced":"Cu3BiSe2ClO8","formula_anonymous":"ABC2D3E8","energy_above_hull":1.7461709633888889,"spacegroup":59},{"id":"jvasp-21517","created_at":"2022-09-04T14:37:01.619088Z","updated_at":"2022-09-04T14:37:01.619107Z","structure_string":"Cu6 B12 O24\n1.0\n5.348850 0.000000 1.855274\n2.674425 8.184911 0.927637\n-0.007785 0.000000 8.660588\nCu B O\n6 12 24\ndirect\n0.500000 -0.000000 -0.000000 Cu\n0.206874 0.168126 0.668126 Cu\n0.125000 0.668126 0.831875 Cu\n0.625000 0.331874 0.168126 Cu\n0.043126 0.831874 0.331874 Cu\n0.750000 0.500000 0.500000 Cu\n0.367728 0.832551 0.537686 B\n0.737964 0.167449 0.462315 B\n0.882272 0.962315 0.667449 B\n0.625937 0.749063 0.249063 B\n0.155413 0.332551 0.962315 B\n0.512035 0.037685 0.332551 B\n0.125000 0.249063 0.250937 B\n0.625000 0.750937 0.749063 B\n0.624063 0.250937 0.750937 B\n0.799720 0.462315 0.832551 B\n0.450280 0.667449 0.037685 B\n0.094587 0.537685 0.167449 B\n0.234485 0.386271 0.238417 O\n0.859173 0.613729 0.761583 O\n0.334878 0.089394 0.229754 O\n0.654027 0.910606 0.770246 O\n0.575728 0.770246 0.089394 O\n0.372659 0.002341 0.502341 O\n0.595973 0.729754 0.589394 O\n0.435367 0.229754 0.910606 O\n0.527097 0.238417 0.613729 O\n0.722903 0.886270 0.261583 O\n0.015515 0.261583 0.113729 O\n0.390827 0.738417 0.886271 O\n0.870755 0.113729 0.738417 O\n0.625000 0.165828 0.334172 O\n0.209173 0.665828 0.165828 O\n0.125000 0.834172 0.665828 O\n0.814633 0.589394 0.270246 O\n0.125000 0.502341 0.997660 O\n0.625000 0.497659 0.002341 O\n0.877341 0.997659 0.497659 O\n0.674272 0.410606 0.729754 O\n0.915122 0.270246 0.410606 O\n0.379245 0.761583 0.386271 O\n0.040828 0.334172 0.834172 O\n","nsites":42,"nelements":3,"elements":["Cu","B","O"],"chemical_system":"B-Cu-O","density":3.9184280924144708,"density_atomic":0.11073684466813444,"volume":379.2775577620002,"volume_molar":5.438244857028085,"formula_full":"Cu6 B12 O24","formula_reduced":"Cu(BO2)2","formula_anonymous":"AB2C4","energy_above_hull":2.671297088095238,"spacegroup":122},{"id":"jvasp-88062","created_at":"2022-09-04T14:35:44.523882Z","updated_at":"2022-09-04T14:35:44.523908Z","structure_string":"Cu6 As4 O16\n1.0\n5.139806 -0.010507 0.000000\n-2.030296 5.097581 0.000000\n0.000000 0.000000 11.716411\nCu As O\n6 4 16\ndirect\n0.244693 0.861415 0.163557 Cu\n0.744693 0.861415 0.336443 Cu\n-0.000000 0.500000 0.500000 Cu\n0.255307 0.138584 0.663557 Cu\n0.500000 0.500000 0.000000 Cu\n0.755307 0.138584 0.836443 Cu\n0.106349 0.732577 0.884909 As\n0.393650 0.267422 0.384909 As\n0.893651 0.267422 0.115091 As\n0.606349 0.732577 0.615091 As\n0.212841 0.276011 0.512727 O\n0.330624 0.007657 0.812991 O\n0.593852 0.456343 0.686206 O\n0.200107 0.219036 0.081890 O\n0.799893 0.780963 0.918110 O\n0.906148 0.543656 0.186206 O\n0.299893 0.780963 0.581890 O\n0.169376 0.992343 0.312991 O\n0.287158 0.723988 0.012727 O\n0.406147 0.543656 0.313794 O\n0.700107 0.219036 0.418110 O\n0.093852 0.456343 0.813794 O\n0.669376 0.992342 0.187009 O\n0.787158 0.723988 0.487272 O\n0.830624 0.007656 0.687009 O\n0.712842 0.276011 0.987272 O\n","nsites":26,"nelements":3,"elements":["Cu","As","O"],"chemical_system":"As-Cu-O","density":5.07241868867592,"density_atomic":0.08476598853569259,"volume":306.72679513496297,"volume_molar":7.104430519870885,"formula_full":"Cu6 As4 O16","formula_reduced":"Cu3(AsO4)2","formula_anonymous":"A2B3C8","energy_above_hull":2.0662809884615383,"spacegroup":14},{"id":"jvasp-61007","created_at":"2022-09-04T14:36:13.691147Z","updated_at":"2022-09-04T14:36:13.691182Z","structure_string":"Cu6 As2 S8\n1.0\n6.203516 0.000000 0.000000\n0.000000 6.478487 0.000000\n0.000000 0.000000 7.464844\nCu As S\n6 2 8\ndirect\n0.495445 0.839011 0.000000 Cu\n0.995445 0.160989 0.500000 Cu\n0.991340 0.671468 0.750387 Cu\n0.491339 0.328533 0.749612 Cu\n0.491339 0.328533 0.250387 Cu\n0.991340 0.671468 0.249613 Cu\n0.997378 0.169617 0.000000 As\n0.497378 0.830384 0.500000 As\n0.627013 0.171909 0.000000 S\n0.127013 0.828092 0.500000 S\n0.124546 0.838803 0.000000 S\n0.624546 0.161198 0.500000 S\n0.622021 0.661552 0.751273 S\n0.122021 0.338449 0.748727 S\n0.122021 0.338449 0.251273 S\n0.622021 0.661552 0.248727 S\n","nsites":16,"nelements":3,"elements":["Cu","As","S"],"chemical_system":"As-Cu-S","density":4.359575319213715,"density_atomic":0.053331984970173635,"volume":300.00758473452913,"volume_molar":11.29179940211851,"formula_full":"Cu6 As2 S8","formula_reduced":"Cu3AsS4","formula_anonymous":"AB3C4","energy_above_hull":1.2251241375,"spacegroup":31},{"id":"jvasp-99561","created_at":"2022-09-04T14:36:57.436760Z","updated_at":"2022-09-04T14:36:57.436786Z","structure_string":"Cu6 As2\n1.0\n4.282755 0.000000 0.000000\n0.000000 4.715583 0.000000\n-0.000000 -0.000000 5.287125\nCu As\n6 2\ndirect\n-0.000000 0.995555 0.500000 Cu\n0.499999 0.337444 -0.000000 Cu\n-0.000000 0.513848 0.251832 Cu\n-0.000000 0.513848 0.748168 Cu\n0.499999 0.819151 0.248168 Cu\n0.499999 0.819151 0.751833 Cu\n-0.000000 0.997610 -0.000000 As\n0.499999 0.335389 0.500000 As\n","nsites":8,"nelements":2,"elements":["Cu","As"],"chemical_system":"As-Cu","density":8.25967380951372,"density_atomic":0.07492241791261389,"volume":106.77711989128323,"volume_molar":8.037835574158793,"formula_full":"Cu6 As2","formula_reduced":"Cu3As","formula_anonymous":"AB3","energy_above_hull":0.282250775,"spacegroup":59},{"id":"jvasp-119567","created_at":"2022-09-04T14:38:35.575851Z","updated_at":"2022-09-04T14:38:35.575869Z","structure_string":"Cu5 Sn2 Se7\n1.0\n6.951253 0.013748 0.900698\n4.597666 5.213594 0.900698\n-0.003602 -0.001630 9.050629\nCu Sn Se\n5 2 7\ndirect\n0.732141 0.267860 0.500000 Cu\n0.886968 0.405147 0.074244 Cu\n0.594853 0.113032 0.925756 Cu\n0.448915 0.978348 0.357919 Cu\n0.021652 0.551085 0.642081 Cu\n0.148945 0.702350 0.224374 Sn\n0.297650 0.851055 0.775626 Sn\n0.354223 0.349412 0.443183 Se\n0.650588 0.645777 0.556818 Se\n0.514150 0.485850 0.000000 Se\n0.048803 0.114176 0.292224 Se\n0.885824 0.951196 0.707776 Se\n0.742433 0.809541 0.138551 Se\n0.190459 0.257568 0.861449 Se\n","nsites":14,"nelements":3,"elements":["Cu","Sn","Se"],"chemical_system":"Cu-Se-Sn","density":5.618106901712123,"density_atomic":0.04275433291806964,"volume":327.4521912627727,"volume_molar":14.085451342534713,"formula_full":"Cu5 Sn2 Se7","formula_reduced":"Cu5Sn2Se7","formula_anonymous":"A2B5C7","energy_above_hull":0.7255170869047619,"spacegroup":5},{"id":"jvasp-105521","created_at":"2022-09-04T14:38:45.659739Z","updated_at":"2022-09-04T14:38:45.659755Z","structure_string":"Cu5 Ge2\n1.0\n3.936671 0.001783 5.802988\n1.783912 3.509279 5.802988\n0.002904 0.001783 7.012278\nCu Ge\n5 2\ndirect\n0.744878 0.744878 0.744881 Cu\n0.259785 0.259785 0.259786 Cu\n0.875201 0.875202 0.875205 Cu\n0.128190 0.128190 0.128190 Cu\n0.621215 0.621215 0.621217 Cu\n0.004363 0.004363 0.004363 Ge\n0.491363 0.491363 0.491365 Ge\n","nsites":7,"nelements":2,"elements":["Cu","Ge"],"chemical_system":"Cu-Ge","density":7.945082439060483,"density_atomic":0.07233641469958042,"volume":96.77007118851029,"volume_molar":8.325185572177565,"formula_full":"Cu5 Ge2","formula_reduced":"Cu5Ge2","formula_anonymous":"A2B5","energy_above_hull":0.0343836166666667,"spacegroup":160}]}