ASE database

ID Formula ads_E no_equ_16 no_equ_20
1 Cu54Li -2.222 ratio:1.9,dipole:-3.128,distance:12.609,ads_E:-0.058 -
2 BeCu54 -2.934 ratio:1.5,dipole:-0.0113499,distance:6.50408,ads_E:-0.00416696 -
3 Cu54B -5.472 ratio:2.000,dipole:-1.008,distance:10.843,ads_E:-0.007 -
4 Cu54C -6.254 ratio:1.51,dipole:2.9677,distance:5.57616,ads_E:-0.10513 ratio:2.1,dipole:5.51535,distance:11.7191,ads_E:-0.0591715
5 Cu54N -4.599 ratio:1.45,dipole:0.007,distance:5.116,ads_E:-0.007 -
6 Cu54O -5.385 ratio:2.100,dipole:4.187,distance:12.753,ads_E:-0.168 -
7 Cu54F -4.264 - -
8 Cu54Ar 0.020 ratio:1.2,dipole:0.005,distance:6.259,ads_E:-0.006 ratio:1.28,dipole:0.001,distance:7.344,ads_E:-0.005