ASE database

ID Formula no_equ_7 no_equ_18 no_equ_29
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 ratio:1.6,dipole:-0.00466727,distance:7.61014,ads_E:-0.0017761 -
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:1.6,dipole:3.20521,distance:6.61329,ads_E:-0.0862335 -
5 Cu54N ratio:1.1,dipole:1.088,distance:1.437,ads_E:-3.705 ratio:1.55,dipole:0.009,distance:6.168,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:1.24,dipole:0.002,distance:6.801,ads_E:-0.005 ratio:1.46,dipole:0.000,distance:9.786,ads_E:-0.005