ASE database

Displaying rows 26-50 out of 594
↓ ID ✕ Formula ✕ PBC ✕ Dipole_val ✕ Calculator ✕
26 Au54O TTT 1.316 vasp
27 Au54F TTT 1.353 vasp
28 Au54Ne TTT -0.015 vasp
29 Au54Na TTT -5.551 vasp
30 Au54Mg TTT -3.232 vasp
31 AlAu54 TTT -1.327 vasp
32 Au54Si TTT -0.547 vasp
33 Au54P TTT 0.123 vasp
34 Au54S TTT 0.877 vasp
35 Au54Cl TTT 0.954 vasp
36 Au54Ar TTT -0.099 vasp
37 Au54H TTT 0.155 vasp
38 Au54He TTT -0.015 vasp
39 Au54Li TTT -5.047 vasp
40 Au54Be TTT -1.560 vasp
41 Au54B TTT 0.021 vasp
42 Au54C TTT 0.691 vasp
43 Au54N TTT 1.558 vasp
44 Au54O TTT 2.393 vasp
45 Au54F TTT 2.726 vasp
46 Au54Ne TTT -0.019 vasp
47 Au54Na TTT -6.299 vasp
48 Au54Mg TTT -3.297 vasp
49 AlAu54 TTT -2.036 vasp
50 Au54Si TTT -1.163 vasp