ASE database

ID Formula no_equ_24 no_equ_22 no_equ_13
1 Cu54Li - - ratio:1.35,dipole:-2.533,distance:6.051,ads_E:-0.126
2 BeCu54 - - ratio:1.35,dipole:-0.0991408,distance:4.845,ads_E:-0.0276465
3 Cu54B - - ratio:1.400,dipole:-0.694,distance:4.626,ads_E:-0.236
4 Cu54C - - ratio:1.35,dipole:2.50975,distance:3.91028,ads_E:-0.271632
5 Cu54N - - ratio:1.33,dipole:0.416,distance:3.855,ads_E:-0.042
6 Cu54O - - ratio:1.350,dipole:3.982,distance:4.588,ads_E:-0.321
7 Cu54F - - ratio:1.550,dipole:9.933,distance:7.465,ads_E:-0.801
8 Cu54Ar ratio:1.36,dipole:0.001,distance:8.429,ads_E:-0.005 ratio:1.32,dipole:0.002,distance:7.887,ads_E:-0.005 ratio:1.14,dipole:0.008,distance:5.445,ads_E:-0.009