ASE database

ID Formula no_equ_26 no_equ_24 ads_site no_equ_11
1 Cu54Li - - f ratio:1.25,dipole:-2.667,distance:4.858,ads_E:-0.244
2 BeCu54 - - f ratio:1.25,dipole:-0.291055,distance:3.73895,ads_E:-0.152313
3 Cu54B - - f ratio:1.250,dipole:-0.107,distance:2.976,ads_E:-0.989
4 Cu54C - - f ratio:1.25,dipole:1.94527,distance:2.86911,ads_E:-0.945693
5 Cu54N - - f ratio:1.25,dipole:0.908,distance:3.014,ads_E:-0.162
6 Cu54O - - f ratio:1.250,dipole:3.446,distance:3.499,ads_E:-0.537
7 Cu54F - - f ratio:1.300,dipole:7.369,distance:4.635,ads_E:-1.125
8 Cu54Ar ratio:1.4,dipole:0.000,distance:8.972,ads_E:-0.005 ratio:1.36,dipole:0.001,distance:8.429,ads_E:-0.005 f ratio:1.1,dipole:0.008,distance:4.902,ads_E:-0.012