ASE database

ID Formula no_equ_18 no_equ_11
1 Cu54Li - ratio:1.25,dipole:-2.667,distance:4.858,ads_E:-0.244
2 BeCu54 ratio:1.6,dipole:-0.00466727,distance:7.61014,ads_E:-0.0017761 ratio:1.25,dipole:-0.291055,distance:3.73895,ads_E:-0.152313
3 Cu54B - ratio:1.250,dipole:-0.107,distance:2.976,ads_E:-0.989
4 Cu54C ratio:1.6,dipole:3.20521,distance:6.61329,ads_E:-0.0862335 ratio:1.25,dipole:1.94527,distance:2.86911,ads_E:-0.945693
5 Cu54N ratio:1.55,dipole:0.009,distance:6.168,ads_E:-0.002 ratio:1.25,dipole:0.908,distance:3.014,ads_E:-0.162
6 Cu54O - ratio:1.250,dipole:3.446,distance:3.499,ads_E:-0.537
7 Cu54F - ratio:1.300,dipole:7.369,distance:4.635,ads_E:-1.125
8 Cu54Ar ratio:1.24,dipole:0.002,distance:6.801,ads_E:-0.005 ratio:1.1,dipole:0.008,distance:4.902,ads_E:-0.012