ASE database

ID Formula no_equ_8 no_equ_31 Volume
1 Cu54Li ratio:1.13,dipole:-3.714,distance:3.427,ads_E:-0.940 - 1730.483
2 BeCu54 ratio:1.13,dipole:-0.472991,distance:2.41168,ads_E:-1.3327 - 1730.483
3 Cu54B ratio:1.130,dipole:0.870,distance:1.717,ads_E:-4.122 - 1730.483
4 Cu54C ratio:1.13,dipole:1.19768,distance:1.61969,ads_E:-4.67472 - 1730.483
5 Cu54N ratio:1.13,dipole:1.347,distance:1.752,ads_E:-2.917 - 1730.483
6 Cu54O ratio:1.130,dipole:1.922,distance:2.193,ads_E:-2.973 - 1730.483
7 Cu54F ratio:1.130,dipole:4.250,distance:2.711,ads_E:-2.537 - 1730.483
8 Cu54Ar ratio:1.04,dipole:-0.018,distance:4.088,ads_E:-0.017 ratio:1.5,dipole:0.000,distance:10.329,ads_E:-0.005 1730.483