ASE database

ID Formula no_equ_17 no_equ_12
1 Cu54Li - ratio:1.3,dipole:-2.555,distance:5.454,ads_E:-0.165
2 BeCu54 ratio:1.55,dipole:-0.00631543,distance:7.10066,ads_E:-0.00261613 ratio:1.3,dipole:-0.18803,distance:4.29197,ads_E:-0.0630632
3 Cu54B ratio:2.100,dipole:-0.833,distance:11.891,ads_E:-0.007 ratio:1.350,dipole:-0.748,distance:4.025,ads_E:-0.303
4 Cu54C ratio:1.55,dipole:3.07149,distance:5.99264,ads_E:-0.095025 ratio:1.3,dipole:2.30687,distance:3.38969,ads_E:-0.486531
5 Cu54N ratio:1.5,dipole:0.030,distance:5.736,ads_E:-0.004 ratio:1.3,dipole:0.575,distance:3.539,ads_E:-0.068
6 Cu54O - ratio:1.310,dipole:3.768,distance:4.152,ads_E:-0.372
7 Cu54F - ratio:1.450,dipole:8.949,distance:6.333,ads_E:-0.889
8 Cu54Ar ratio:1.22,dipole:0.004,distance:6.530,ads_E:-0.006 ratio:1.12,dipole:0.009,distance:5.173,ads_E:-0.010