ASE database

ID Formula no_equ_25 no_equ_28 no_equ_26 no_equ_12 Volume
1 Cu54Li - - - ratio:1.3,dipole:-2.555,distance:5.454,ads_E:-0.165 1730.483
2 BeCu54 - - - ratio:1.3,dipole:-0.18803,distance:4.29197,ads_E:-0.0630632 1730.483
3 Cu54B - - - ratio:1.350,dipole:-0.748,distance:4.025,ads_E:-0.303 1730.483
4 Cu54C - - - ratio:1.3,dipole:2.30687,distance:3.38969,ads_E:-0.486531 1730.483
5 Cu54N - - - ratio:1.3,dipole:0.575,distance:3.539,ads_E:-0.068 1730.483
6 Cu54O - - - ratio:1.310,dipole:3.768,distance:4.152,ads_E:-0.372 1730.483
7 Cu54F - - - ratio:1.450,dipole:8.949,distance:6.333,ads_E:-0.889 1730.483
8 Cu54Ar ratio:1.38,dipole:0.000,distance:8.701,ads_E:-0.005 ratio:1.44,dipole:0.000,distance:9.515,ads_E:-0.005 ratio:1.4,dipole:0.000,distance:8.972,ads_E:-0.005 ratio:1.12,dipole:0.009,distance:5.173,ads_E:-0.010 1730.483