ASE database

ID Formula Number of atoms slab_E Calculator PBC Mass
1 Au54H 55 -165.064 vasp TTT 10637.203
2 Au54He 55 -165.064 vasp TTT 10640.197
3 Au54Li 55 -165.064 vasp TTT 10643.135
4 Au54Be 55 -165.064 vasp TTT 10645.207
5 Au54B 55 -165.064 vasp TTT 10647.005
6 Au54C 55 -165.064 vasp TTT 10648.206
7 Au54N 55 -165.064 vasp TTT 10650.202
8 Au54O 55 -165.064 vasp TTT 10652.194
9 Au54F 55 -165.064 vasp TTT 10655.193
10 Au54Ne 55 -165.064 vasp TTT 10656.374
11 Au54Na 55 -165.064 vasp TTT 10659.184
12 Au54Mg 55 -165.064 vasp TTT 10660.500
13 AlAu54 55 -165.064 vasp TTT 10663.176
14 Au54Si 55 -165.064 vasp TTT 10664.280
15 Au54P 55 -165.064 vasp TTT 10667.168
16 Au54S 55 -165.064 vasp TTT 10668.255
17 Au54Cl 55 -165.064 vasp TTT 10671.645
18 Au54Ar 55 -165.064 vasp TTT 10676.143
19 Au54H 55 -165.064 vasp TTT 10637.203
20 Au54He 55 -165.064 vasp TTT 10640.197
21 Au54Li 55 -165.064 vasp TTT 10643.135
22 Au54Be 55 -165.064 vasp TTT 10645.207
23 Au54B 55 -165.064 vasp TTT 10647.005
24 Au54C 55 -165.064 vasp TTT 10648.206
25 Au54N 55 -165.064 vasp TTT 10650.202