ASE database

ID Formula no_equ_16 Dipole_val no_equ_25 no_equ_22
1 Cu54Li ratio:1.9,dipole:-3.128,distance:12.609,ads_E:-0.058 -2.989 - -
2 BeCu54 ratio:1.5,dipole:-0.0113499,distance:6.50408,ads_E:-0.00416696 -0.069 - -
3 Cu54B ratio:2.000,dipole:-1.008,distance:10.843,ads_E:-0.007 0.558 - -
4 Cu54C ratio:1.51,dipole:2.9677,distance:5.57616,ads_E:-0.10513 0.431 - -
5 Cu54N ratio:1.45,dipole:0.007,distance:5.116,ads_E:-0.007 0.356 - -
6 Cu54O ratio:2.100,dipole:4.187,distance:12.753,ads_E:-0.168 0.473 - -
7 Cu54F - 0.677 - -
8 Cu54Ar ratio:1.2,dipole:0.005,distance:6.259,ads_E:-0.006 -0.049 ratio:1.38,dipole:0.000,distance:8.701,ads_E:-0.005 ratio:1.32,dipole:0.002,distance:7.887,ads_E:-0.005