ASE database

Displaying rows 1-25 out of 414
↓ ID ✕ Formula ✕ Number of atoms ✕ Energy ✕ Calculator ✕ PBC ✕
1 C60H18 78 -601.226 vasp TTT
2 C60H18 78 -597.550 vasp TTT
3 C60H18 78 -594.198 vasp TTT
4 C60H18 78 -595.860 vasp TTT
5 C60H18 78 -594.706 vasp TTT
6 C60H18 78 -595.719 vasp TTT
7 C60H18 78 -596.924 vasp TTT
8 C60H18 78 -597.862 vasp TTT
9 C60H18 78 -595.755 vasp TTT
10 C60H18 78 -595.314 vasp TTT
11 C60H18 78 -594.009 vasp TTT
12 C60H18 78 -589.931 vasp TTT
13 C60H18 78 -593.931 vasp TTT
14 C60H18 78 -592.196 vasp TTT
15 C60H18 78 -595.084 vasp TTT
16 C60H18 78 -597.082 vasp TTT
17 C60H18 78 -596.384 vasp TTT
18 C60H18 78 -596.571 vasp TTT
19 C60H18 78 -596.873 vasp TTT
20 C60H18 78 -592.840 vasp TTT
21 C60H18 78 -596.337 vasp TTT
22 C60H18 78 -594.138 vasp TTT
23 C60H18 78 -598.073 vasp TTT
24 C60H18 78 -595.946 vasp TTT
25 C60H18 78 -593.749 vasp TTT