ASE database

ID Formula no_equ_5 no_equ_21
1 Cu54Li ratio:1.03,dipole:-2.924,distance:2.235,ads_E:-2.040 -
2 BeCu54 ratio:1.03,dipole:-0.173906,distance:1.30562,ads_E:-2.87935 -
3 Cu54B ratio:1.030,dipole:0.635,distance:0.668,ads_E:-5.579 -
4 Cu54C ratio:1.03,dipole:0.653681,distance:0.578516,ads_E:-6.33223 ratio:2.2,dipole:7.59718,distance:12.7603,ads_E:-0.0579928
5 Cu54N ratio:1.03,dipole:0.566,distance:0.701,ads_E:-4.655 -
6 Cu54O ratio:1.030,dipole:0.754,distance:1.104,ads_E:-5.283 -
7 Cu54F ratio:1.030,dipole:1.159,distance:1.579,ads_E:-4.212 -
8 Cu54Ar ratio:0.98,dipole:-0.177,distance:3.274,ads_E:0.014 ratio:1.3,dipole:0.002,distance:7.615,ads_E:-0.005