ASE database

ID Formula Volume no_equ_12 str_E
1 Cu54Li 1730.483 ratio:1.3,dipole:-2.555,distance:5.454,ads_E:-0.165 -193.113
2 BeCu54 1730.483 ratio:1.3,dipole:-0.18803,distance:4.29197,ads_E:-0.0630632 -193.566
3 Cu54B 1730.483 ratio:1.350,dipole:-0.748,distance:4.025,ads_E:-0.303 -196.413
4 Cu54C 1730.483 ratio:1.3,dipole:2.30687,distance:3.38969,ads_E:-0.486531 -198.094
5 Cu54N 1730.483 ratio:1.3,dipole:0.575,distance:3.539,ads_E:-0.068 -198.315
6 Cu54O 1730.483 ratio:1.310,dipole:3.768,distance:4.152,ads_E:-0.372 -197.510
7 Cu54F 1730.483 ratio:1.450,dipole:8.949,distance:6.333,ads_E:-0.889 -195.280
8 Cu54Ar 1730.483 ratio:1.12,dipole:0.009,distance:5.173,ads_E:-0.010 -190.598