ASE database

ID Formula no_equ_2 distance no_equ_9
1 Cu54Li ratio:0.93,dipole:-1.125,distance:1.042,ads_E:-1.567 1.865 ratio:1.15,dipole:-3.511,distance:3.666,ads_E:-0.744
2 BeCu54 ratio:0.93,dipole:0.340153,distance:0.19957,ads_E:-2.58415 1.012 ratio:1.16,dipole:-0.39644,distance:2.7435,ads_E:-0.772653
3 Cu54B ratio:0.930,dipole:0.209,distance:-0.381,ads_E:-5.180 0.409 ratio:1.160,dipole:0.981,distance:2.032,ads_E:-3.278
4 Cu54C ratio:0.93,dipole:0.104359,distance:-0.462661,ads_E:-5.77067 0.260 ratio:1.16,dipole:1.37647,distance:1.93205,ads_E:-3.75037
5 Cu54N ratio:0.93,dipole:-0.001,distance:-0.350,ads_E:-4.156 0.399 ratio:1.16,dipole:1.554,distance:2.068,ads_E:-1.933
6 Cu54O ratio:0.930,dipole:-0.058,distance:0.015,ads_E:-4.909 0.772 ratio:1.160,dipole:2.453,distance:2.519,ads_E:-1.842
7 Cu54F ratio:0.930,dipole:0.015,distance:0.447,ads_E:-3.637 1.238 ratio:1.160,dipole:5.403,distance:3.050,ads_E:-2.006
8 Cu54Ar ratio:0.92,dipole:-0.596,distance:2.460,ads_E:0.278 3.861 ratio:1.06,dipole:-0.003,distance:4.359,ads_E:-0.016