ASE database

ID Formula no_equ_18 distance no_equ_29 no_equ_19 no_equ_26
1 Cu54Li - 1.865 - - -
2 BeCu54 ratio:1.6,dipole:-0.00466727,distance:7.61014,ads_E:-0.0017761 1.012 - - -
3 Cu54B - 0.409 - - -
4 Cu54C ratio:1.6,dipole:3.20521,distance:6.61329,ads_E:-0.0862335 0.260 - ratio:1.8,dipole:3.74248,distance:8.59558,ads_E:-0.0684837 -
5 Cu54N ratio:1.55,dipole:0.009,distance:6.168,ads_E:-0.002 0.399 - ratio:1.6,dipole:0.009,distance:6.693,ads_E:-0.002 -
6 Cu54O - 0.772 - - -
7 Cu54F - 1.238 - - -
8 Cu54Ar ratio:1.24,dipole:0.002,distance:6.801,ads_E:-0.005 3.861 ratio:1.46,dipole:0.000,distance:9.786,ads_E:-0.005 ratio:1.26,dipole:0.002,distance:7.073,ads_E:-0.005 ratio:1.4,dipole:0.000,distance:8.972,ads_E:-0.005