ASE database

ID Formula no_equ_27 no_equ_13 atom_E
1 Cu54Li - ratio:1.35,dipole:-2.533,distance:6.051,ads_E:-0.126 -0.299
2 BeCu54 - ratio:1.35,dipole:-0.0991408,distance:4.845,ads_E:-0.0276465 -0.039
3 Cu54B - ratio:1.400,dipole:-0.694,distance:4.626,ads_E:-0.236 -0.349
4 Cu54C - ratio:1.35,dipole:2.50975,distance:3.91028,ads_E:-0.271632 -1.248
5 Cu54N - ratio:1.33,dipole:0.416,distance:3.855,ads_E:-0.042 -3.124
6 Cu54O - ratio:1.350,dipole:3.982,distance:4.588,ads_E:-0.321 -1.533
7 Cu54F - ratio:1.550,dipole:9.933,distance:7.465,ads_E:-0.801 -0.424
8 Cu54Ar ratio:1.42,dipole:0.000,distance:9.243,ads_E:-0.005 ratio:1.14,dipole:0.008,distance:5.445,ads_E:-0.009 -0.025