ASE database

ID Formula no_equ_14 no_equ_19
1 Cu54Li ratio:1.5,dipole:-2.645,distance:7.839,ads_E:-0.084 -
2 BeCu54 ratio:1.4,dipole:-0.047443,distance:5.39803,ads_E:-0.0134448 -
3 Cu54B ratio:1.500,dipole:-0.465,distance:5.598,ads_E:-0.193 -
4 Cu54C ratio:1.4,dipole:2.63066,distance:4.43087,ads_E:-0.175371 ratio:1.8,dipole:3.74248,distance:8.59558,ads_E:-0.0684837
5 Cu54N ratio:1.36,dipole:-0.067,distance:4.254,ads_E:-0.030 ratio:1.6,dipole:0.009,distance:6.693,ads_E:-0.002
6 Cu54O ratio:1.550,dipole:3.996,distance:6.765,ads_E:-0.507 -
7 Cu54F ratio:1.600,dipole:10.431,distance:8.031,ads_E:-0.769 -
8 Cu54Ar ratio:1.16,dipole:0.006,distance:5.716,ads_E:-0.008 ratio:1.26,dipole:0.002,distance:7.073,ads_E:-0.005