ASE database

ID Formula Age Calculator atom_E slab_E Charge PBC
76 Au72Be 15M vasp -0.039 -218.527 0.000 TTT
77 Au72B 15M vasp -0.349 -218.527 0.000 TTT
78 Au72C 15M vasp -1.248 -218.527 0.000 TTT
79 Au72N 15M vasp -3.124 -218.527 0.000 TTT
80 Au72O 15M vasp -1.533 -218.527 0.000 TTT
81 Au72F 15M vasp -0.424 -218.527 0.000 TTT
82 Au72Ne 15M vasp -0.013 -218.527 0.000 TTT
83 Au72Na 15M vasp -0.225 -218.527 0.000 TTT
84 Au72Mg 15M vasp -0.004 -218.527 0.000 TTT
85 AlAu72 15M vasp -0.295 -218.527 0.000 TTT
86 Au72Si 15M vasp -0.830 -218.527 0.000 TTT
87 Au72P 15M vasp -1.888 -218.527 0.000 TTT
88 Au72S 15M vasp -0.945 -218.527 0.000 TTT
89 Au72Cl 15M vasp -0.243 -218.527 0.000 TTT
90 Au72Ar 15M vasp -0.025 -218.527 0.000 TTT
91 Au72H 15M vasp -1.117 -218.527 0.000 TTT
92 Au72He 15M vasp 0.002 -218.527 0.000 TTT
93 Au72Li 15M vasp -0.299 -218.527 0.000 TTT
94 Au72Be 15M vasp -0.039 -218.527 0.000 TTT
95 Au72B 15M vasp -0.349 -218.527 0.000 TTT
96 Au72C 15M vasp -1.248 -218.527 0.000 TTT
97 Au72N 15M vasp -3.124 -218.527 0.000 TTT
98 Au72O 15M vasp -1.533 -218.527 0.000 TTT
99 Au72F 15M vasp -0.424 -218.527 0.000 TTT
100 Au72Ne 15M vasp -0.013 -218.527 0.000 TTT