ASE database

ID Formula Volume plane_index slab_E atom_E distance PBC
76 Au72Be 3649.858 110 -218.527 -0.039 0.376 TTT
77 Au72B 3649.858 110 -218.527 -0.349 0.004 TTT
78 Au72C 3649.858 110 -218.527 -1.248 -0.057 TTT
79 Au72N 3649.858 110 -218.527 -3.124 1.019 TTT
80 Au72O 3649.858 110 -218.527 -1.533 1.128 TTT
81 Au72F 3649.858 110 -218.527 -0.424 1.287 TTT
82 Au72Ne 3649.858 110 -218.527 -0.013 3.219 TTT
83 Au72Na 3649.858 110 -218.527 -0.225 1.783 TTT
84 Au72Mg 3649.858 110 -218.527 -0.004 1.048 TTT
85 AlAu72 3649.858 110 -218.527 -0.295 0.555 TTT
86 Au72Si 3649.858 110 -218.527 -0.830 0.496 TTT
87 Au72P 3649.858 110 -218.527 -1.888 0.638 TTT
88 Au72S 3649.858 110 -218.527 -0.945 1.456 TTT
89 Au72Cl 3649.858 110 -218.527 -0.243 1.702 TTT
90 Au72Ar 3649.858 110 -218.527 -0.025 3.199 TTT
91 Au72H 3649.858 110 -218.527 -1.117 1.011 TTT
92 Au72He 3649.858 110 -218.527 0.002 3.531 TTT
93 Au72Li 3649.858 110 -218.527 -0.299 2.014 TTT
94 Au72Be 3649.858 110 -218.527 -0.039 0.794 TTT
95 Au72B 3649.858 110 -218.527 -0.349 -1.286 TTT
96 Au72C 3649.858 110 -218.527 -1.248 0.883 TTT
97 Au72N 3649.858 110 -218.527 -3.124 1.085 TTT
98 Au72O 3649.858 110 -218.527 -1.533 1.199 TTT
99 Au72F 3649.858 110 -218.527 -0.424 1.545 TTT
100 Au72Ne 3649.858 110 -218.527 -0.013 3.558 TTT