ASE database

ID Formula Volume plane_index slab_E atom_E distance PBC Age
51 Au54P 2654.442 100 -165.064 -1.888 2.068 TTT 15M
52 Au54S 2654.442 100 -165.064 -0.945 2.223 TTT 15M
53 Au54Cl 2654.442 100 -165.064 -0.243 2.348 TTT 15M
54 Au54Ar 2654.442 100 -165.064 -0.025 3.732 TTT 15M
55 Au72H 3649.858 110 -218.527 -1.117 0.550 TTT 15M
56 Au72He 3649.858 110 -218.527 0.002 3.257 TTT 15M
57 Au72Li 3649.858 110 -218.527 -0.299 1.239 TTT 15M
58 Au72Be 3649.858 110 -218.527 -0.039 0.506 TTT 15M
59 Au72B 3649.858 110 -218.527 -0.349 0.212 TTT 15M
60 Au72C 3649.858 110 -218.527 -1.248 0.153 TTT 15M
61 Au72N 3649.858 110 -218.527 -3.124 0.283 TTT 15M
62 Au72O 3649.858 110 -218.527 -1.533 0.490 TTT 15M
63 Au72F 3649.858 110 -218.527 -0.424 1.058 TTT 15M
64 Au72Ne 3649.858 110 -218.527 -0.013 3.091 TTT 15M
65 Au72Na 3649.858 110 -218.527 -0.225 1.723 TTT 15M
66 Au72Mg 3649.858 110 -218.527 -0.004 1.112 TTT 15M
67 AlAu72 3649.858 110 -218.527 -0.295 0.784 TTT 15M
68 Au72Si 3649.858 110 -218.527 -0.830 0.676 TTT 15M
69 Au72P 3649.858 110 -218.527 -1.888 0.689 TTT 15M
70 Au72S 3649.858 110 -218.527 -0.945 0.863 TTT 15M
71 Au72Cl 3649.858 110 -218.527 -0.243 1.609 TTT 15M
72 Au72Ar 3649.858 110 -218.527 -0.025 3.253 TTT 15M
73 Au72H 3649.858 110 -218.527 -1.117 0.625 TTT 15M
74 Au72He 3649.858 110 -218.527 0.002 3.259 TTT 15M
75 Au72Li 3649.858 110 -218.527 -0.299 1.284 TTT 15M