ASE database

ID Formula no_equ_21 no_equ_26 no_equ_10
1 Cu54Li - - ratio:1.17,dipole:-3.222,distance:3.904,ads_E:-0.582
2 BeCu54 - - ratio:1.2,dipole:-0.359907,distance:3.18592,ads_E:-0.372501
3 Cu54B - - ratio:1.200,dipole:0.935,distance:2.451,ads_E:-2.045
4 Cu54C ratio:2.2,dipole:7.59718,distance:12.7603,ads_E:-0.0579928 - ratio:1.2,dipole:1.54212,distance:2.34852,ads_E:-2.29339
5 Cu54N - - ratio:1.2,dipole:1.380,distance:2.488,ads_E:-0.433
6 Cu54O - - ratio:1.200,dipole:3.021,distance:2.955,ads_E:-0.945
7 Cu54F - - ratio:1.250,dipole:6.761,distance:4.069,ads_E:-1.287
8 Cu54Ar ratio:1.3,dipole:0.002,distance:7.615,ads_E:-0.005 ratio:1.4,dipole:0.000,distance:8.972,ads_E:-0.005 ratio:1.08,dipole:0.005,distance:4.631,ads_E:-0.014