ASE database

Displaying rows 26-50 out of 594
↓ ID ✕ Formula ✕ Dipole_val ✕ Username ✕ PBC ✕ Maximum force ✕ Calculator ✕
26 Au54O 1.316 hecc TTT 0.008 vasp
27 Au54F 1.353 hecc TTT 0.007 vasp
28 Au54Ne -0.015 hecc TTT 0.009 vasp
29 Au54Na -5.551 hecc TTT 0.007 vasp
30 Au54Mg -3.232 hecc TTT 0.010 vasp
31 AlAu54 -1.327 hecc TTT 0.010 vasp
32 Au54Si -0.547 hecc TTT 0.004 vasp
33 Au54P 0.123 hecc TTT 0.009 vasp
34 Au54S 0.877 hecc TTT 0.005 vasp
35 Au54Cl 0.954 hecc TTT 0.005 vasp
36 Au54Ar -0.099 hecc TTT 0.008 vasp
37 Au54H 0.155 hecc TTT 0.009 vasp
38 Au54He -0.015 hecc TTT 0.008 vasp
39 Au54Li -5.047 hecc TTT 0.005 vasp
40 Au54Be -1.560 hecc TTT 0.007 vasp
41 Au54B 0.021 hecc TTT 0.007 vasp
42 Au54C 0.691 hecc TTT 0.010 vasp
43 Au54N 1.558 hecc TTT 0.005 vasp
44 Au54O 2.393 hecc TTT 0.009 vasp
45 Au54F 2.726 hecc TTT 0.008 vasp
46 Au54Ne -0.019 hecc TTT 0.007 vasp
47 Au54Na -6.299 hecc TTT 0.008 vasp
48 Au54Mg -3.297 hecc TTT 0.010 vasp
49 AlAu54 -2.036 hecc TTT 0.008 vasp
50 Au54Si -1.163 hecc TTT 0.007 vasp