ASE database

Displaying rows 1-25 out of 594
↓ ID ✕ Formula ✕ Maximum stress ✕ ads_E ✕ Calculator ✕ ads_site ✕
1 Au54H 0.012 -1.889 vasp 2f
2 Au54He 0.011 -0.007 vasp 2f
3 Au54Li 0.011 -2.868 vasp 2f
4 Au54Be 0.010 -4.044 vasp 2f
5 Au54B 0.011 -5.643 vasp 2f
6 Au54C 0.011 -4.895 vasp 2f
7 Au54N 0.011 -2.390 vasp 2f
8 Au54O 0.011 -3.329 vasp 2f
9 Au54F 0.011 -3.208 vasp 2f
10 Au54Ne 0.011 -0.009 vasp 2f
11 Au54Na 0.011 -2.363 vasp 2f
12 Au54Mg 0.010 -2.441 vasp 2f
13 AlAu54 0.010 -4.253 vasp 2f
14 Au54Si 0.010 -5.051 vasp 2f
15 Au54P 0.011 -4.079 vasp 2f
16 Au54S 0.011 -3.898 vasp 2f
17 Au54Cl 0.011 -2.562 vasp 2f
18 Au54Ar 0.011 -0.005 vasp 2f
19 Au54H 0.011 -2.247 vasp 1b
20 Au54He 0.011 -0.007 vasp 1b
21 Au54Li 0.012 -2.541 vasp 1b
22 Au54Be 0.012 -2.713 vasp 1b
23 Au54B 0.011 -4.341 vasp 1b
24 Au54C 0.011 -4.185 vasp 1b
25 Au54N 0.011 -2.172 vasp 1b