ASE database

ID Formula no_equ_18 no_equ_16 Volume
1 Cu54Li - ratio:1.9,dipole:-3.128,distance:12.609,ads_E:-0.058 1730.483
2 BeCu54 ratio:1.6,dipole:-0.00466727,distance:7.61014,ads_E:-0.0017761 ratio:1.5,dipole:-0.0113499,distance:6.50408,ads_E:-0.00416696 1730.483
3 Cu54B - ratio:2.000,dipole:-1.008,distance:10.843,ads_E:-0.007 1730.483
4 Cu54C ratio:1.6,dipole:3.20521,distance:6.61329,ads_E:-0.0862335 ratio:1.51,dipole:2.9677,distance:5.57616,ads_E:-0.10513 1730.483
5 Cu54N ratio:1.55,dipole:0.009,distance:6.168,ads_E:-0.002 ratio:1.45,dipole:0.007,distance:5.116,ads_E:-0.007 1730.483
6 Cu54O - ratio:2.100,dipole:4.187,distance:12.753,ads_E:-0.168 1730.483
7 Cu54F - - 1730.483
8 Cu54Ar ratio:1.24,dipole:0.002,distance:6.801,ads_E:-0.005 ratio:1.2,dipole:0.005,distance:6.259,ads_E:-0.006 1730.483