ASE database

ID Formula Volume plane_index slab_E atom_E distance PBC Age ads_E
51 Au54P 2654.442 100 -165.064 -1.888 2.068 TTT 15M -1.663
52 Au54S 2654.442 100 -165.064 -0.945 2.223 TTT 15M -2.279
53 Au54Cl 2654.442 100 -165.064 -0.243 2.348 TTT 15M -2.402
54 Au54Ar 2654.442 100 -165.064 -0.025 3.732 TTT 15M -0.003
55 Au72H 3649.858 110 -218.527 -1.117 0.550 TTT 15M -1.683
56 Au72He 3649.858 110 -218.527 0.002 3.257 TTT 15M -0.005
57 Au72Li 3649.858 110 -218.527 -0.299 1.239 TTT 15M -2.954
58 Au72Be 3649.858 110 -218.527 -0.039 0.506 TTT 15M -3.785
59 Au72B 3649.858 110 -218.527 -0.349 0.212 TTT 15M -5.089
60 Au72C 3649.858 110 -218.527 -1.248 0.153 TTT 15M -4.383
61 Au72N 3649.858 110 -218.527 -3.124 0.283 TTT 15M -2.009
62 Au72O 3649.858 110 -218.527 -1.533 0.490 TTT 15M -2.954
63 Au72F 3649.858 110 -218.527 -0.424 1.058 TTT 15M -3.008
64 Au72Ne 3649.858 110 -218.527 -0.013 3.091 TTT 15M -0.008
65 Au72Na 3649.858 110 -218.527 -0.225 1.723 TTT 15M -2.503
66 Au72Mg 3649.858 110 -218.527 -0.004 1.112 TTT 15M -2.706
67 AlAu72 3649.858 110 -218.527 -0.295 0.784 TTT 15M -4.343
68 Au72Si 3649.858 110 -218.527 -0.830 0.676 TTT 15M -4.977
69 Au72P 3649.858 110 -218.527 -1.888 0.689 TTT 15M -3.831
70 Au72S 3649.858 110 -218.527 -0.945 0.863 TTT 15M -3.509
71 Au72Cl 3649.858 110 -218.527 -0.243 1.609 TTT 15M -2.405
72 Au72Ar 3649.858 110 -218.527 -0.025 3.253 TTT 15M -0.002
73 Au72H 3649.858 110 -218.527 -1.117 0.625 TTT 15M -1.957
74 Au72He 3649.858 110 -218.527 0.002 3.259 TTT 15M -0.005
75 Au72Li 3649.858 110 -218.527 -0.299 1.284 TTT 15M -2.846