ASE database

ID Formula Volume no_equ_22 no_equ_4 no_equ_27
1 Cu54Li 1730.483 - ratio:1,dipole:-2.353,distance:1.877,ads_E:-2.141 -
2 BeCu54 1730.483 - ratio:1,dipole:0.00345513,distance:0.973808,ads_E:-2.95616 -
3 Cu54B 1730.483 - ratio:1.000,dipole:0.557,distance:0.353,ads_E:-5.662 -
4 Cu54C 1730.483 - ratio:1,dipole:0.52283,distance:0.266163,ads_E:-6.42427 -
5 Cu54N 1730.483 - ratio:1,dipole:0.368,distance:0.386,ads_E:-4.725 -
6 Cu54O 1730.483 - ratio:1.000,dipole:0.486,distance:0.778,ads_E:-5.406 -
7 Cu54F 1730.483 - ratio:1.000,dipole:0.693,distance:1.239,ads_E:-4.335 -
8 Cu54Ar 1730.483 ratio:1.32,dipole:0.002,distance:7.887,ads_E:-0.005 ratio:0.96,dipole:-0.291,distance:3.002,ads_E:0.057 ratio:1.42,dipole:0.000,distance:9.243,ads_E:-0.005