ASE database

ID Formula no_equ_19 no_equ_1
1 Cu54Li - ratio:0.9,dipole:-0.645,distance:0.684,ads_E:-1.046
2 BeCu54 - ratio:0.9,dipole:0.302883,distance:-0.132247,ads_E:-2.36046
3 Cu54B - ratio:0.900,dipole:-0.012,distance:-0.696,ads_E:-4.781
4 Cu54C ratio:1.8,dipole:3.74248,distance:8.59558,ads_E:-0.0684837 ratio:0.9,dipole:-0.0331232,distance:-0.775014,ads_E:-5.11493
5 Cu54N ratio:1.6,dipole:0.009,distance:6.693,ads_E:-0.002 ratio:0.9,dipole:-0.149,distance:-0.666,ads_E:-3.448
6 Cu54O - ratio:0.900,dipole:-0.175,distance:-0.311,ads_E:-4.372
7 Cu54F - ratio:0.900,dipole:-0.137,distance:0.107,ads_E:-3.084
8 Cu54Ar ratio:1.26,dipole:0.002,distance:7.073,ads_E:-0.005 ratio:0.9,dipole:-0.757,distance:2.324,ads_E:0.500