ASE database

Displaying rows 1-25 out of 594
↓ ID ✕ Formula ✕ Number of atoms ✕ slab_E ✕ Calculator ✕ PBC ✕ Mass ✕ distance ✕
1 Au54H 55 -165.064 vasp TTT 10637.203 0.464
2 Au54He 55 -165.064 vasp TTT 10640.197 3.597
3 Au54Li 55 -165.064 vasp TTT 10643.135 1.620
4 Au54Be 55 -165.064 vasp TTT 10645.207 0.461
5 Au54B 55 -165.064 vasp TTT 10647.005 0.094
6 Au54C 55 -165.064 vasp TTT 10648.206 0.055
7 Au54N 55 -165.064 vasp TTT 10650.202 0.748
8 Au54O 55 -165.064 vasp TTT 10652.194 0.843
9 Au54F 55 -165.064 vasp TTT 10655.193 1.259
10 Au54Ne 55 -165.064 vasp TTT 10656.374 3.424
11 Au54Na 55 -165.064 vasp TTT 10659.184 2.111
12 Au54Mg 55 -165.064 vasp TTT 10660.500 1.410
13 AlAu54 55 -165.064 vasp TTT 10663.176 0.934
14 Au54Si 55 -165.064 vasp TTT 10664.280 0.866
15 Au54P 55 -165.064 vasp TTT 10667.168 1.150
16 Au54S 55 -165.064 vasp TTT 10668.255 1.251
17 Au54Cl 55 -165.064 vasp TTT 10671.645 1.721
18 Au54Ar 55 -165.064 vasp TTT 10676.143 3.651
19 Au54H 55 -165.064 vasp TTT 10637.203 0.885
20 Au54He 55 -165.064 vasp TTT 10640.197 3.568
21 Au54Li 55 -165.064 vasp TTT 10643.135 1.954
22 Au54Be 55 -165.064 vasp TTT 10645.207 1.213
23 Au54B 55 -165.064 vasp TTT 10647.005 0.861
24 Au54C 55 -165.064 vasp TTT 10648.206 1.062
25 Au54N 55 -165.064 vasp TTT 10650.202 1.146