ASE database

Displaying rows 26-8 out of 8
↓ ID ✕ Formula ✕ Energy ✕ Maximum stress ✕ Maximum force ✕ PBC ✕ ads_site ✕ Dipole_val ✕ atom_E ✕
26 Au54O -169.953 0.011 0.008 TTT 1b 1.316 -1.533
27 Au54F -168.878 0.011 0.007 TTT 1b 1.353 -0.424
28 Au54Ne -165.084 0.011 0.009 TTT 1b -0.015 -0.013
29 Au54Na -167.438 0.011 0.007 TTT 1b -5.551 -0.225
30 Au54Mg -166.817 0.012 0.010 TTT 1b -3.232 -0.004
31 AlAu54 -168.662 0.012 0.010 TTT 1b -1.327 -0.295
32 Au54Si -169.936 0.012 0.004 TTT 1b -0.547 -0.830
33 Au54P -170.059 0.011 0.009 TTT 1b 0.123 -1.888
34 Au54S -169.436 0.011 0.005 TTT 1b 0.877 -0.945
35 Au54Cl -168.055 0.011 0.005 TTT 1b 0.954 -0.243
36 Au54Ar -165.093 0.011 0.008 TTT 1b -0.099 -0.025
37 Au54H -168.134 0.011 0.009 TTT 0t 0.155 -1.117
38 Au54He -165.067 0.011 0.008 TTT 0t -0.015 0.002
39 Au54Li -167.627 0.011 0.005 TTT 0t -5.047 -0.299
40 Au54Be -166.735 0.011 0.007 TTT 0t -1.560 -0.039
41 Au54B -168.412 0.011 0.007 TTT 0t 0.021 -0.349
42 Au54C -169.007 0.011 0.010 TTT 0t 0.691 -1.248
43 Au54N -168.955 0.011 0.005 TTT 0t 1.558 -3.124
44 Au54O -168.874 0.010 0.009 TTT 0t 2.393 -1.533
45 Au54F -168.510 0.010 0.008 TTT 0t 2.726 -0.424
46 Au54Ne -165.081 0.011 0.007 TTT 0t -0.019 -0.013
47 Au54Na -167.240 0.011 0.008 TTT 0t -6.299 -0.225
48 Au54Mg -166.341 0.011 0.010 TTT 0t -3.297 -0.004
49 AlAu54 -168.104 0.011 0.008 TTT 0t -2.036 -0.295
50 Au54Si -168.778 0.011 0.007 TTT 0t -1.163 -0.830