ASE database

Formula no_equ_19 no_equ_25 no_equ_21 no_equ_14
Cu54Li - - - ratio:1.5,dipole:-2.645,distance:7.839,ads_E:-0.084
BeCu54 - - - ratio:1.4,dipole:-0.047443,distance:5.39803,ads_E:-0.0134448
Cu54B - - - ratio:1.500,dipole:-0.465,distance:5.598,ads_E:-0.193
Cu54C ratio:1.8,dipole:3.74248,distance:8.59558,ads_E:-0.0684837 - ratio:2.2,dipole:7.59718,distance:12.7603,ads_E:-0.0579928 ratio:1.4,dipole:2.63066,distance:4.43087,ads_E:-0.175371
Cu54N ratio:1.6,dipole:0.009,distance:6.693,ads_E:-0.002 - - ratio:1.36,dipole:-0.067,distance:4.254,ads_E:-0.030
Cu54O - - - ratio:1.550,dipole:3.996,distance:6.765,ads_E:-0.507
Cu54F - - - ratio:1.600,dipole:10.431,distance:8.031,ads_E:-0.769
Cu54Ar ratio:1.26,dipole:0.002,distance:7.073,ads_E:-0.005 ratio:1.38,dipole:0.000,distance:8.701,ads_E:-0.005 ratio:1.3,dipole:0.002,distance:7.615,ads_E:-0.005 ratio:1.16,dipole:0.006,distance:5.716,ads_E:-0.008