ASE database

ID Formula Username Dipole_val slab_E ads_E Magnetic moment
1 Au54H hecc -0.123 -165.064 -1.889 0.000
2 Au54He hecc -0.011 -165.064 -0.007 0.000
3 Au54Li hecc -2.696 -165.064 -2.868 -0.000
4 Au54Be hecc -0.238 -165.064 -4.044 0.000
5 Au54B hecc -0.022 -165.064 -5.643 0.000
6 Au54C hecc 0.044 -165.064 -4.895 -0.000
7 Au54N hecc 0.360 -165.064 -2.390 -0.000
8 Au54O hecc 0.594 -165.064 -3.329 0.000
9 Au54F hecc 1.029 -165.064 -3.208 0.000
10 Au54Ne hecc -0.012 -165.064 -0.009 0.000
11 Au54Na hecc -4.669 -165.064 -2.363 -0.000
12 Au54Mg hecc -2.555 -165.064 -2.441 0.000
13 AlAu54 hecc -0.805 -165.064 -4.253 -0.000
14 Au54Si hecc -0.276 -165.064 -5.051 -0.000
15 Au54P hecc 0.008 -165.064 -4.079 0.000
16 Au54S hecc 0.191 -165.064 -3.898 0.000
17 Au54Cl hecc 0.752 -165.064 -2.562 0.000
18 Au54Ar hecc -0.077 -165.064 -0.005 -0.000
19 Au54H hecc -0.004 -165.064 -2.247 0.000
20 Au54He hecc -0.017 -165.064 -0.007 -0.000
21 Au54Li hecc -3.955 -165.064 -2.541 0.000
22 Au54Be hecc -1.093 -165.064 -2.713 -0.000
23 Au54B hecc -0.008 -165.064 -4.341 -0.000
24 Au54C hecc 0.475 -165.064 -4.185 0.000
25 Au54N hecc 0.930 -165.064 -2.172 0.000