ASE database

ID Formula no_equ_7 no_equ_19
1 Cu54Li ratio:1.1,dipole:-4.039,distance:3.069,ads_E:-1.290 -
2 BeCu54 ratio:1.1,dipole:-0.434967,distance:2.07986,ads_E:-1.97799 -
3 Cu54B ratio:1.100,dipole:0.778,distance:1.402,ads_E:-4.794 -
4 Cu54C ratio:1.1,dipole:1.00519,distance:1.30734,ads_E:-5.4061 ratio:1.8,dipole:3.74248,distance:8.59558,ads_E:-0.0684837
5 Cu54N ratio:1.1,dipole:1.088,distance:1.437,ads_E:-3.705 ratio:1.6,dipole:0.009,distance:6.693,ads_E:-0.002
6 Cu54O ratio:1.100,dipole:1.502,distance:1.866,ads_E:-3.941 -
7 Cu54F ratio:1.100,dipole:3.086,distance:2.371,ads_E:-3.138 -
8 Cu54Ar ratio:1.02,dipole:-0.049,distance:3.817,ads_E:-0.015 ratio:1.26,dipole:0.002,distance:7.073,ads_E:-0.005