ASE database

ID Formula no_equ_22 no_equ_29 no_equ_21 no_equ_26 no_equ_25 Charge no_equ_16
1 Cu54Li - - - - - 0.000 ratio:1.9,dipole:-3.128,distance:12.609,ads_E:-0.058
2 BeCu54 - - - - - 0.000 ratio:1.5,dipole:-0.0113499,distance:6.50408,ads_E:-0.00416696
3 Cu54B - - - - - 0.000 ratio:2.000,dipole:-1.008,distance:10.843,ads_E:-0.007
4 Cu54C - - ratio:2.2,dipole:7.59718,distance:12.7603,ads_E:-0.0579928 - - 0.000 ratio:1.51,dipole:2.9677,distance:5.57616,ads_E:-0.10513
5 Cu54N - - - - - 0.000 ratio:1.45,dipole:0.007,distance:5.116,ads_E:-0.007
6 Cu54O - - - - - 0.000 ratio:2.100,dipole:4.187,distance:12.753,ads_E:-0.168
7 Cu54F - - - - - 0.000 -
8 Cu54Ar ratio:1.32,dipole:0.002,distance:7.887,ads_E:-0.005 ratio:1.46,dipole:0.000,distance:9.786,ads_E:-0.005 ratio:1.3,dipole:0.002,distance:7.615,ads_E:-0.005 ratio:1.4,dipole:0.000,distance:8.972,ads_E:-0.005 ratio:1.38,dipole:0.000,distance:8.701,ads_E:-0.005 0.000 ratio:1.2,dipole:0.005,distance:6.259,ads_E:-0.006