ASE database

Displaying rows 26-50 out of 594
↓ ID ✕ Formula ✕ str_E ✕ Volume ✕ atom_E ✕ Number of atoms ✕ Age ✕ distance ✕ Maximum stress ✕ Dipole_val ✕ Maximum force ✕
26 Au54O -169.953 2654.442 -1.533 55 13M 1.207 0.011 1.316 0.008
27 Au54F -168.878 2654.442 -0.424 55 13M 1.450 0.011 1.353 0.007
28 Au54Ne -165.084 2654.442 -0.013 55 13M 3.533 0.011 -0.015 0.009
29 Au54Na -167.438 2654.442 -0.225 55 13M 2.311 0.011 -5.551 0.007
30 Au54Mg -166.817 2654.442 -0.004 55 13M 1.912 0.012 -3.232 0.010
31 AlAu54 -168.662 2654.442 -0.295 55 13M 1.789 0.012 -1.327 0.010
32 Au54Si -169.936 2654.442 -0.830 55 13M 1.628 0.012 -0.547 0.004
33 Au54P -170.059 2654.442 -1.888 55 13M 1.558 0.011 0.123 0.009
34 Au54S -169.436 2654.442 -0.945 55 13M 1.610 0.011 0.877 0.005
35 Au54Cl -168.055 2654.442 -0.243 55 13M 1.850 0.011 0.954 0.005
36 Au54Ar -165.093 2654.442 -0.025 55 13M 3.651 0.011 -0.099 0.008
37 Au54H -168.134 2654.442 -1.117 55 13M 1.595 0.011 0.155 0.009
38 Au54He -165.067 2654.442 0.002 55 13M 3.705 0.011 -0.015 0.008
39 Au54Li -167.627 2654.442 -0.299 55 13M 2.190 0.011 -5.047 0.005
40 Au54Be -166.735 2654.442 -0.039 55 13M 2.075 0.011 -1.560 0.007
41 Au54B -168.412 2654.442 -0.349 55 13M 1.936 0.011 0.021 0.007
42 Au54C -169.007 2654.442 -1.248 55 13M 1.843 0.011 0.691 0.010
43 Au54N -168.955 2654.442 -3.124 55 13M 1.846 0.011 1.558 0.005
44 Au54O -168.874 2654.442 -1.533 55 13M 1.899 0.010 2.393 0.009
45 Au54F -168.510 2654.442 -0.424 55 13M 2.054 0.010 2.726 0.008
46 Au54Ne -165.081 2654.442 -0.013 55 13M 3.612 0.011 -0.019 0.007
47 Au54Na -167.240 2654.442 -0.225 55 13M 2.484 0.011 -6.299 0.008
48 Au54Mg -166.341 2654.442 -0.004 55 13M 2.361 0.011 -3.297 0.010
49 AlAu54 -168.104 2654.442 -0.295 55 13M 2.346 0.011 -2.036 0.008
50 Au54Si -168.778 2654.442 -0.830 55 13M 2.049 0.011 -1.163 0.007