{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=created_at&page=4552","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=created_at&page=4550","results":[{"id":"jvasp-117858","created_at":"2022-09-04T14:38:53.003326Z","updated_at":"2022-09-04T14:38:53.003366Z","structure_string":"Pb2 Br2\n1.0\n6.065762 -0.075422 -1.430957\n-2.287997 -3.023995 0.721456\n1.894125 -3.787432 -6.779521\nPb Br\n2 2\ndirect\n0.174097 0.376168 0.616685 Pb\n0.674233 0.376481 0.116552 Pb\n0.039502 0.144026 0.251337 Br\n0.539488 0.144151 0.751314 Br\n","nsites":4,"nelements":2,"elements":["Pb","Br"],"chemical_system":"Br-Pb","density":7.854123439909183,"density_atomic":0.0329487829621976,"volume":121.40053866600266,"volume_molar":18.277278304662264,"formula_full":"Pb2 Br2","formula_reduced":"PbBr","formula_anonymous":"AB","energy_above_hull":2.520500000002812e-05,"spacegroup":38},{"id":"jvasp-118356","created_at":"2022-09-04T14:38:53.003675Z","updated_at":"2022-09-04T14:38:53.003712Z","structure_string":"Mg1 Fe1 H3\n1.0\n3.283997 0.000000 -0.000000\n-0.000000 3.283997 -0.000000\n-0.000000 0.000000 3.283997\nMg Fe H\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Fe\n0.500000 0.500000 0.000000 H\n0.500000 0.000000 0.500000 H\n0.000000 0.500000 0.500000 H\n","nsites":5,"nelements":3,"elements":["Mg","Fe","H"],"chemical_system":"Fe-H-Mg","density":3.8996667049230953,"density_atomic":0.1411762849310513,"volume":35.41671324218466,"volume_molar":4.26568864801984,"formula_full":"Mg1 Fe1 H3","formula_reduced":"MgFeH3","formula_anonymous":"ABC3","energy_above_hull":2.16360891,"spacegroup":221},{"id":"jvasp-120144","created_at":"2022-09-04T14:38:53.004172Z","updated_at":"2022-09-04T14:38:53.004186Z","structure_string":"Sn1 H1 F2\n1.0\n3.577139 0.000000 0.000000\n-0.000000 3.577139 0.000000\n-0.000000 0.000000 4.736451\nSn H F\n1 1 2\ndirect\n0.500001 0.500001 0.485457 Sn\n0.000000 -0.000000 0.056992 H\n0.000000 -0.000000 0.549993 F\n0.500001 0.500001 -0.082442 F\n","nsites":4,"nelements":3,"elements":["Sn","H","F"],"chemical_system":"F-H-Sn","density":4.321123891410422,"density_atomic":0.0659986891992119,"volume":60.607264303785065,"volume_molar":9.124636917897925,"formula_full":"Sn1 H1 F2","formula_reduced":"SnHF2","formula_anonymous":"ABC2","energy_above_hull":0.4170605662499999,"spacegroup":99},{"id":"jvasp-118529","created_at":"2022-09-04T14:38:53.011125Z","updated_at":"2022-09-04T14:38:53.011150Z","structure_string":"Hf2 O2\n1.0\n3.086453 0.445265 0.273987\n-2.281904 -5.726305 -0.525323\n0.262656 0.182284 -3.194591\nHf O\n2 2\ndirect\n0.154969 -0.001634 0.204680 Hf\n0.151838 0.494587 0.705496 Hf\n0.542822 0.385733 0.205824 O\n0.911523 0.755374 0.705264 O\n","nsites":4,"nelements":2,"elements":["Hf","O"],"chemical_system":"Hf-O","density":12.017577781007745,"density_atomic":0.07442209705669012,"volume":53.74747767390979,"volume_molar":8.091871901181054,"formula_full":"Hf2 O2","formula_reduced":"HfO","formula_anonymous":"AB","energy_above_hull":1.2850782500000002,"spacegroup":25},{"id":"jvasp-123708","created_at":"2022-09-04T14:38:53.012578Z","updated_at":"2022-09-04T14:38:53.012608Z","structure_string":"Si1 Se2\n1.0\n0.967977 -3.461676 -0.077334\n2.513911 4.354222 -0.000000\n0.152573 -0.088088 5.864665\nSi Se\n1 2\ndirect\n-0.000000 0.166677 0.166667 Si\n0.500045 0.666683 0.419399 Se\n0.499955 0.166638 0.913933 Se\n","nsites":3,"nelements":2,"elements":["Si","Se"],"chemical_system":"Se-Si","density":4.073549887051646,"density_atomic":0.03956575072433558,"volume":75.82315373975197,"volume_molar":15.220590156263558,"formula_full":"Si1 Se2","formula_reduced":"SiSe2","formula_anonymous":"AB2","energy_above_hull":null,"spacegroup":115},{"id":"jvasp-121337","created_at":"2022-09-04T14:38:53.013183Z","updated_at":"2022-09-04T14:38:53.013212Z","structure_string":"Ba4 Na4 P4 O16\n1.0\n5.427865 0.000000 0.000000\n0.000000 7.858168 0.000000\n-0.000000 0.000000 10.053323\nBa Na P O\n4 4 4 16\ndirect\n0.250000 0.973634 0.189434 Ba\n0.749999 0.026367 0.810566 Ba\n0.749999 0.526367 0.689434 Ba\n0.250000 0.473633 0.310566 Ba\n0.250000 0.617748 0.944312 Na\n0.749999 0.382253 0.055687 Na\n0.749999 0.882253 0.444313 Na\n0.250000 0.117747 0.555687 Na\n0.250000 0.253463 0.930135 P\n0.749999 0.746538 0.069865 P\n0.749999 0.246538 0.430135 P\n0.250000 0.753463 0.569865 P\n0.749999 0.710172 0.916806 O\n0.250000 0.289828 0.083193 O\n0.250000 0.057809 0.904864 O\n0.749999 0.942191 0.095136 O\n0.749999 0.442191 0.404864 O\n0.250000 0.557809 0.595135 O\n0.515240 0.663920 0.129546 O\n0.984759 0.163920 0.370454 O\n0.484759 0.836080 0.629546 O\n0.015240 0.336080 0.870454 O\n0.515240 0.163920 0.370454 O\n0.984759 0.663920 0.129546 O\n0.749999 0.210172 0.583193 O\n0.015240 0.836080 0.629546 O\n0.484759 0.336080 0.870454 O\n0.250000 0.789828 0.416806 O\n","nsites":28,"nelements":4,"elements":["Ba","Na","P","O"],"chemical_system":"Ba-Na-O-P","density":3.9543921026743116,"density_atomic":0.06529772467664506,"volume":428.8051404341615,"volume_molar":9.222588979664602,"formula_full":"Ba4 Na4 P4 O16","formula_reduced":"BaNaPO4","formula_anonymous":"ABCD4","energy_above_hull":1.5078863528571425,"spacegroup":62},{"id":"jvasp-120483","created_at":"2022-09-04T14:38:53.019530Z","updated_at":"2022-09-04T14:38:53.019558Z","structure_string":"Er16 Mg4 Rh4\n1.0\n8.265412 -0.000000 4.772038\n2.755137 7.792705 4.772038\n-0.000000 -0.000000 9.544076\nEr Mg Rh\n16 4 4\ndirect\n0.347016 0.347017 0.347017 Er\n0.934595 0.934595 0.565406 Er\n0.565405 0.565406 0.934595 Er\n0.934595 0.565406 0.934595 Er\n0.565405 0.934595 0.565406 Er\n0.934595 0.565406 0.565406 Er\n0.812402 0.812402 0.187598 Er\n0.187598 0.187598 0.812402 Er\n0.565405 0.934595 0.934595 Er\n0.187598 0.812402 0.187598 Er\n0.187598 0.812402 0.812402 Er\n0.812402 0.187598 0.187599 Er\n0.958949 0.347017 0.347017 Er\n0.347016 0.958950 0.347017 Er\n0.347016 0.347017 0.958950 Er\n0.812402 0.187598 0.812402 Er\n0.579911 0.579912 0.579912 Mg\n0.579911 0.579912 0.260265 Mg\n0.579911 0.260265 0.579912 Mg\n0.260265 0.579912 0.579912 Mg\n0.141731 0.574808 0.141731 Rh\n0.141731 0.141731 0.141731 Rh\n0.141731 0.141731 0.574808 Rh\n0.574807 0.141731 0.141731 Rh\n","nsites":24,"nelements":3,"elements":["Er","Mg","Rh"],"chemical_system":"Er-Mg-Rh","density":8.603397596730892,"density_atomic":0.039041330562581224,"volume":614.7331470050501,"volume_molar":15.425039754592436,"formula_full":"Er16 Mg4 Rh4","formula_reduced":"Er4MgRh","formula_anonymous":"ABC4","energy_above_hull":1.3150236750000002,"spacegroup":216},{"id":"jvasp-120094","created_at":"2022-09-04T14:38:53.021633Z","updated_at":"2022-09-04T14:38:53.021644Z","structure_string":"Tl1 Mo1 Cl1\n1.0\n2.900553 0.000000 0.000000\n0.000000 2.900553 0.000000\n0.000000 0.000000 8.639238\nTl Mo Cl\n1 1 1\ndirect\n0.000000 0.000000 0.661216 Tl\n0.000000 0.000000 0.016196 Mo\n0.000000 0.000000 0.273166 Cl\n","nsites":3,"nelements":3,"elements":["Tl","Mo","Cl"],"chemical_system":"Cl-Mo-Tl","density":7.671178480158194,"density_atomic":0.04127472661283139,"volume":72.68370371391794,"volume_molar":14.590383157444952,"formula_full":"Tl1 Mo1 Cl1","formula_reduced":"TlMoCl","formula_anonymous":"ABC","energy_above_hull":1.776430855833333,"spacegroup":99},{"id":"jvasp-120606","created_at":"2022-09-04T14:38:53.023062Z","updated_at":"2022-09-04T14:38:53.023088Z","structure_string":"Sr3 Ta2 Zn1 O9\n1.0\n5.701998 -0.000000 0.000000\n-2.850998 4.938075 0.000000\n-0.000000 -0.000000 7.023579\nSr Ta Zn O\n3 2 1 9\ndirect\n0.000000 0.000000 0.000000 Sr\n0.666667 0.333334 0.340555 Sr\n0.333334 0.666667 0.659445 Sr\n0.666667 0.333334 0.823542 Ta\n0.333334 0.666667 0.176458 Ta\n0.000000 0.000000 0.500000 Zn\n0.500000 0.000000 -0.000000 O\n0.500000 0.500000 -0.000000 O\n0.000000 0.500000 -0.000000 O\n0.830302 0.660604 0.673945 O\n0.830302 0.169698 0.673945 O\n0.339397 0.169698 0.673945 O\n0.169698 0.339397 0.326055 O\n0.169698 0.830302 0.326055 O\n0.660604 0.830302 0.326055 O\n","nsites":15,"nelements":4,"elements":["Sr","Ta","Zn","O"],"chemical_system":"O-Sr-Ta-Zn","density":7.004141491531955,"density_atomic":0.07584868312130119,"volume":197.7621678152436,"volume_molar":7.939677410574258,"formula_full":"Sr3 Ta2 Zn1 O9","formula_reduced":"Sr3Ta2ZnO9","formula_anonymous":"AB2C3D9","energy_above_hull":2.4329452820000004,"spacegroup":164},{"id":"jvasp-122916","created_at":"2022-09-04T14:38:53.031354Z","updated_at":"2022-09-04T14:38:53.031386Z","structure_string":"Al1 V1\n1.0\n3.072355 0.000000 -0.000000\n0.000000 3.072355 -0.000000\n0.000000 -0.000000 3.072355\nAl V\n1 1\ndirect\n0.000000 0.000000 0.000000 Al\n0.499999 0.499999 0.499999 V\n","nsites":2,"nelements":2,"elements":["Al","V"],"chemical_system":"Al-V","density":4.461704366704464,"density_atomic":0.0689629465632422,"volume":29.001081010451138,"volume_molar":8.732429601854989,"formula_full":"Al1 V1","formula_reduced":"AlV","formula_anonymous":"AB","energy_above_hull":null,"spacegroup":221},{"id":"jvasp-121343","created_at":"2022-09-04T14:38:53.033517Z","updated_at":"2022-09-04T14:38:53.033535Z","structure_string":"Nd1 Mn5 Cu2 O12\n1.0\n5.990933 -0.087141 -2.130637\n-2.952571 5.202970 -2.156365\n-0.025627 0.087141 6.358478\nNd Mn Cu O\n1 5 2 12\ndirect\n0.000000 0.000000 0.000000 Nd\n0.000000 0.500000 -0.000000 Mn\n0.500000 0.500000 0.499999 Mn\n-0.000000 -0.000000 0.500000 Mn\n0.500000 0.000000 -0.000000 Mn\n0.500000 0.500000 -0.000001 Mn\n0.499999 -0.000000 0.500000 Cu\n-0.000000 0.500000 0.500000 Cu\n0.127133 0.304144 0.822988 O\n0.481156 0.304145 0.177011 O\n0.821281 0.120585 0.299304 O\n0.178718 0.478023 0.299304 O\n0.821281 0.521977 0.700695 O\n0.303467 0.181400 0.484867 O\n0.696532 0.181400 0.877932 O\n0.696532 0.818600 0.515132 O\n0.872866 0.695855 0.177010 O\n0.303467 0.818600 0.122066 O\n0.178718 0.879415 0.700695 O\n0.518843 0.695855 0.822988 O\n","nsites":20,"nelements":4,"elements":["Nd","Mn","Cu","O"],"chemical_system":"Cu-Mn-Nd-O","density":6.191084684849506,"density_atomic":0.10103719068575245,"volume":197.94691305505842,"volume_molar":5.960320867125218,"formula_full":"Nd1 Mn5 Cu2 O12","formula_reduced":"NdMn5(CuO6)2","formula_anonymous":"AB2C5D12","energy_above_hull":3.1233875303448277,"spacegroup":71},{"id":"jvasp-111787","created_at":"2022-09-04T14:38:53.034869Z","updated_at":"2022-09-04T14:38:53.034903Z","structure_string":"Rb2 Sb2 W2 O12\n1.0\n6.395292 -0.026651 -3.573809\n-2.148307 5.919981 -3.743152\n0.068839 0.026651 7.325785\nRb Sb W O\n2 2 2 12\ndirect\n0.659510 0.382327 0.777182 Rb\n0.394855 0.617673 0.277182 Rb\n-0.003731 0.500000 0.496269 Sb\n-0.003731 -0.000000 -0.003731 Sb\n0.515497 0.991197 0.024302 W\n0.033105 0.008803 0.524302 W\n0.316656 0.688792 0.752840 O\n0.934674 0.066754 0.743406 O\n0.317505 0.063209 0.754296 O\n0.916100 0.672183 0.743917 O\n0.064048 0.311207 0.627863 O\n0.064048 0.936184 0.252841 O\n0.676653 0.308733 0.243406 O\n0.316656 0.063816 0.127863 O\n0.691089 0.936791 0.254297 O\n0.071735 0.327817 0.243917 O\n0.676652 0.933246 0.867921 O\n0.934674 0.691267 0.367921 O\n","nsites":18,"nelements":4,"elements":["Rb","Sb","W","O"],"chemical_system":"O-Rb-Sb-W","density":5.7927734335612335,"density_atomic":0.0644605111970347,"volume":279.2407268533736,"volume_molar":9.342372016865154,"formula_full":"Rb2 Sb2 W2 O12","formula_reduced":"RbSbWO6","formula_anonymous":"ABCD6","energy_above_hull":2.8015374555555552,"spacegroup":46}]}