ASE database

ID Formula no_equ_21 no_equ_3
1 Cu54Li - ratio:0.96,dipole:-1.624,distance:1.400,ads_E:-1.949
2 BeCu54 - ratio:0.96,dipole:0.234375,distance:0.531386,ads_E:-2.83237
3 Cu54B - ratio:0.960,dipole:0.398,distance:-0.066,ads_E:-5.490
4 Cu54C ratio:2.2,dipole:7.59718,distance:12.7603,ads_E:-0.0579928 ratio:0.96,dipole:0.291413,distance:-0.150308,ads_E:-6.20762
5 Cu54N - ratio:0.96,dipole:0.160,distance:-0.035,ads_E:-4.570
6 Cu54O - ratio:0.960,dipole:0.131,distance:0.342,ads_E:-5.226
7 Cu54F - ratio:0.960,dipole:0.260,distance:0.787,ads_E:-4.090
8 Cu54Ar ratio:1.3,dipole:0.002,distance:7.615,ads_E:-0.005 ratio:0.94,dipole:-0.431,distance:2.731,ads_E:0.139