ASE database

ID Formula Charge Magnetic moment ads_site Mass Energy distance Volume Maximum force Number of atoms
1 Au54H 0.000 0.000 2f 10637.203 -168.070 0.464 2654.442 0.008 55
2 Au54He 0.000 0.000 2f 10640.197 -165.069 3.597 2654.442 0.006 55
3 Au54Li 0.000 -0.000 2f 10643.135 -168.230 1.620 2654.442 0.008 55
4 Au54Be 0.000 0.000 2f 10645.207 -169.147 0.461 2654.442 0.008 55
5 Au54B 0.000 0.000 2f 10647.005 -171.055 0.094 2654.442 0.008 55
6 Au54C 0.000 -0.000 2f 10648.206 -171.207 0.055 2654.442 0.009 55
7 Au54N 0.000 -0.000 2f 10650.202 -170.577 0.748 2654.442 0.008 55
8 Au54O 0.000 0.000 2f 10652.194 -169.926 0.843 2654.442 0.009 55
9 Au54F 0.000 0.000 2f 10655.193 -168.695 1.259 2654.442 0.005 55
10 Au54Ne 0.000 0.000 2f 10656.374 -165.085 3.424 2654.442 0.010 55
11 Au54Na 0.000 -0.000 2f 10659.184 -167.652 2.111 2654.442 0.005 55
12 Au54Mg 0.000 0.000 2f 10660.500 -167.509 1.410 2654.442 0.010 55
13 AlAu54 0.000 -0.000 2f 10663.176 -169.611 0.934 2654.442 0.010 55
14 Au54Si 0.000 -0.000 2f 10664.280 -170.944 0.866 2654.442 0.006 55
15 Au54P 0.000 0.000 2f 10667.168 -171.031 1.150 2654.442 0.006 55
16 Au54S 0.000 0.000 2f 10668.255 -169.906 1.251 2654.442 0.007 55
17 Au54Cl 0.000 0.000 2f 10671.645 -167.868 1.721 2654.442 0.010 55
18 Au54Ar 0.000 -0.000 2f 10676.143 -165.095 3.651 2654.442 0.006 55
19 Au54H 0.000 0.000 1b 10637.203 -168.428 0.885 2654.442 0.010 55
20 Au54He 0.000 -0.000 1b 10640.197 -165.069 3.568 2654.442 0.009 55
21 Au54Li 0.000 0.000 1b 10643.135 -167.904 1.954 2654.442 0.009 55
22 Au54Be 0.000 -0.000 1b 10645.207 -167.816 1.213 2654.442 0.009 55
23 Au54B 0.000 -0.000 1b 10647.005 -169.754 0.861 2654.442 0.009 55
24 Au54C 0.000 0.000 1b 10648.206 -170.497 1.062 2654.442 0.006 55
25 Au54N 0.000 0.000 1b 10650.202 -170.360 1.146 2654.442 0.010 55