ASE database

Formula distance Age ads_site atom_E str_E PBC
Au54P 2.068 13M 0t -1.888 -168.614 TTT
Au54S 2.223 13M 0t -0.945 -168.287 TTT
Au54Cl 2.348 13M 0t -0.243 -167.708 TTT
Au54Ar 3.732 13M 0t -0.025 -165.092 TTT
Au72H 0.550 13M 2f -1.117 -221.327 TTT
Au72He 3.257 13M 2f 0.002 -218.530 TTT
Au72Li 1.239 13M 2f -0.299 -221.779 TTT
Au72Be 0.506 13M 2f -0.039 -222.351 TTT
Au72B 0.212 13M 2f -0.349 -223.965 TTT
Au72C 0.153 13M 2f -1.248 -224.158 TTT
Au72N 0.283 13M 2f -3.124 -223.660 TTT
Au72O 0.490 13M 2f -1.533 -223.013 TTT
Au72F 1.058 13M 2f -0.424 -221.958 TTT
Au72Ne 3.091 13M 2f -0.013 -218.548 TTT
Au72Na 1.723 13M 2f -0.225 -221.255 TTT
Au72Mg 1.112 13M 2f -0.004 -221.237 TTT
AlAu72 0.784 13M 2f -0.295 -223.165 TTT
Au72Si 0.676 13M 2f -0.830 -224.334 TTT
Au72P 0.689 13M 2f -1.888 -224.246 TTT
Au72S 0.863 13M 2f -0.945 -222.981 TTT
Au72Cl 1.609 13M 2f -0.243 -221.174 TTT
Au72Ar 3.253 13M 2f -0.025 -218.555 TTT
Au72H 0.625 13M 3b -1.117 -221.601 TTT
Au72He 3.259 13M 3b 0.002 -218.530 TTT
Au72Li 1.284 13M 3b -0.299 -221.672 TTT