ASE database

ID Formula no_equ_7 no_equ_14
1 Cu54Li ratio:1.1,dipole:-4.039,distance:3.069,ads_E:-1.290 ratio:1.5,dipole:-2.645,distance:7.839,ads_E:-0.084
2 BeCu54 ratio:1.1,dipole:-0.434967,distance:2.07986,ads_E:-1.97799 ratio:1.4,dipole:-0.047443,distance:5.39803,ads_E:-0.0134448
3 Cu54B ratio:1.100,dipole:0.778,distance:1.402,ads_E:-4.794 ratio:1.500,dipole:-0.465,distance:5.598,ads_E:-0.193
4 Cu54C ratio:1.1,dipole:1.00519,distance:1.30734,ads_E:-5.4061 ratio:1.4,dipole:2.63066,distance:4.43087,ads_E:-0.175371
5 Cu54N ratio:1.1,dipole:1.088,distance:1.437,ads_E:-3.705 ratio:1.36,dipole:-0.067,distance:4.254,ads_E:-0.030
6 Cu54O ratio:1.100,dipole:1.502,distance:1.866,ads_E:-3.941 ratio:1.550,dipole:3.996,distance:6.765,ads_E:-0.507
7 Cu54F ratio:1.100,dipole:3.086,distance:2.371,ads_E:-3.138 ratio:1.600,dipole:10.431,distance:8.031,ads_E:-0.769
8 Cu54Ar ratio:1.02,dipole:-0.049,distance:3.817,ads_E:-0.015 ratio:1.16,dipole:0.006,distance:5.716,ads_E:-0.008