ASE database

ID Formula no_equ_18 no_equ_2 Number of atoms
1 Cu54Li - ratio:0.93,dipole:-1.125,distance:1.042,ads_E:-1.567 55
2 BeCu54 ratio:1.6,dipole:-0.00466727,distance:7.61014,ads_E:-0.0017761 ratio:0.93,dipole:0.340153,distance:0.19957,ads_E:-2.58415 55
3 Cu54B - ratio:0.930,dipole:0.209,distance:-0.381,ads_E:-5.180 55
4 Cu54C ratio:1.6,dipole:3.20521,distance:6.61329,ads_E:-0.0862335 ratio:0.93,dipole:0.104359,distance:-0.462661,ads_E:-5.77067 55
5 Cu54N ratio:1.55,dipole:0.009,distance:6.168,ads_E:-0.002 ratio:0.93,dipole:-0.001,distance:-0.350,ads_E:-4.156 55
6 Cu54O - ratio:0.930,dipole:-0.058,distance:0.015,ads_E:-4.909 55
7 Cu54F - ratio:0.930,dipole:0.015,distance:0.447,ads_E:-3.637 55
8 Cu54Ar ratio:1.24,dipole:0.002,distance:6.801,ads_E:-0.005 ratio:0.92,dipole:-0.596,distance:2.460,ads_E:0.278 55