ASE database

Displaying rows 26-50 out of 594
↓ ID ✕ Formula ✕ Number of atoms ✕ ads_site ✕ ads_E ✕ Calculator ✕
26 Au54O 55 1b -3.356 vasp
27 Au54F 55 1b -3.390 vasp
28 Au54Ne 55 1b -0.008 vasp
29 Au54Na 55 1b -2.150 vasp
30 Au54Mg 55 1b -1.750 vasp
31 AlAu54 55 1b -3.303 vasp
32 Au54Si 55 1b -4.042 vasp
33 Au54P 55 1b -3.107 vasp
34 Au54S 55 1b -3.427 vasp
35 Au54Cl 55 1b -2.748 vasp
36 Au54Ar 55 1b -0.004 vasp
37 Au54H 55 0t -1.953 vasp
38 Au54He 55 0t -0.005 vasp
39 Au54Li 55 0t -2.265 vasp
40 Au54Be 55 0t -1.631 vasp
41 Au54B 55 0t -2.999 vasp
42 Au54C 55 0t -2.695 vasp
43 Au54N 55 0t -0.767 vasp
44 Au54O 55 0t -2.278 vasp
45 Au54F 55 0t -3.022 vasp
46 Au54Ne 55 0t -0.004 vasp
47 Au54Na 55 0t -1.952 vasp
48 Au54Mg 55 0t -1.273 vasp
49 AlAu54 55 0t -2.745 vasp
50 Au54Si 55 0t -2.884 vasp