ASE database

ID Formula no_equ_20 no_equ_14 no_equ_17
1 Cu54Li - ratio:1.5,dipole:-2.645,distance:7.839,ads_E:-0.084 -
2 BeCu54 - ratio:1.4,dipole:-0.047443,distance:5.39803,ads_E:-0.0134448 ratio:1.55,dipole:-0.00631543,distance:7.10066,ads_E:-0.00261613
3 Cu54B - ratio:1.500,dipole:-0.465,distance:5.598,ads_E:-0.193 ratio:2.100,dipole:-0.833,distance:11.891,ads_E:-0.007
4 Cu54C ratio:2.1,dipole:5.51535,distance:11.7191,ads_E:-0.0591715 ratio:1.4,dipole:2.63066,distance:4.43087,ads_E:-0.175371 ratio:1.55,dipole:3.07149,distance:5.99264,ads_E:-0.095025
5 Cu54N - ratio:1.36,dipole:-0.067,distance:4.254,ads_E:-0.030 ratio:1.5,dipole:0.030,distance:5.736,ads_E:-0.004
6 Cu54O - ratio:1.550,dipole:3.996,distance:6.765,ads_E:-0.507 -
7 Cu54F - ratio:1.600,dipole:10.431,distance:8.031,ads_E:-0.769 -
8 Cu54Ar ratio:1.28,dipole:0.001,distance:7.344,ads_E:-0.005 ratio:1.16,dipole:0.006,distance:5.716,ads_E:-0.008 ratio:1.22,dipole:0.004,distance:6.530,ads_E:-0.006