ASE database

Displaying rows 1-25 out of 594
↓ ID ✕ Formula ✕ str_E ✕ slab_E ✕ Energy ✕ ads_site ✕ Maximum force ✕ distance ✕ Charge ✕ ads_E ✕
1 Au54H -168.070 -165.064 -168.070 2f 0.008 0.464 0.000 -1.889
2 Au54He -165.069 -165.064 -165.069 2f 0.006 3.597 0.000 -0.007
3 Au54Li -168.230 -165.064 -168.230 2f 0.008 1.620 0.000 -2.868
4 Au54Be -169.147 -165.064 -169.147 2f 0.008 0.461 0.000 -4.044
5 Au54B -171.055 -165.064 -171.055 2f 0.008 0.094 0.000 -5.643
6 Au54C -171.207 -165.064 -171.207 2f 0.009 0.055 0.000 -4.895
7 Au54N -170.577 -165.064 -170.577 2f 0.008 0.748 0.000 -2.390
8 Au54O -169.926 -165.064 -169.926 2f 0.009 0.843 0.000 -3.329
9 Au54F -168.695 -165.064 -168.695 2f 0.005 1.259 0.000 -3.208
10 Au54Ne -165.085 -165.064 -165.085 2f 0.010 3.424 0.000 -0.009
11 Au54Na -167.652 -165.064 -167.652 2f 0.005 2.111 0.000 -2.363
12 Au54Mg -167.509 -165.064 -167.509 2f 0.010 1.410 0.000 -2.441
13 AlAu54 -169.611 -165.064 -169.611 2f 0.010 0.934 0.000 -4.253
14 Au54Si -170.944 -165.064 -170.944 2f 0.006 0.866 0.000 -5.051
15 Au54P -171.031 -165.064 -171.031 2f 0.006 1.150 0.000 -4.079
16 Au54S -169.906 -165.064 -169.906 2f 0.007 1.251 0.000 -3.898
17 Au54Cl -167.868 -165.064 -167.868 2f 0.010 1.721 0.000 -2.562
18 Au54Ar -165.095 -165.064 -165.095 2f 0.006 3.651 0.000 -0.005
19 Au54H -168.428 -165.064 -168.428 1b 0.010 0.885 0.000 -2.247
20 Au54He -165.069 -165.064 -165.069 1b 0.009 3.568 0.000 -0.007
21 Au54Li -167.904 -165.064 -167.904 1b 0.009 1.954 0.000 -2.541
22 Au54Be -167.816 -165.064 -167.816 1b 0.009 1.213 0.000 -2.713
23 Au54B -169.754 -165.064 -169.754 1b 0.009 0.861 0.000 -4.341
24 Au54C -170.497 -165.064 -170.497 1b 0.006 1.062 0.000 -4.185
25 Au54N -170.360 -165.064 -170.360 1b 0.010 1.146 0.000 -2.172