ASE database

ID Formula Magnetic moment no_equ_8 no_equ_21
1 Cu54Li 0.000 ratio:1.13,dipole:-3.714,distance:3.427,ads_E:-0.940 -
2 BeCu54 -0.000 ratio:1.13,dipole:-0.472991,distance:2.41168,ads_E:-1.3327 -
3 Cu54B 0.000 ratio:1.130,dipole:0.870,distance:1.717,ads_E:-4.122 -
4 Cu54C -0.000 ratio:1.13,dipole:1.19768,distance:1.61969,ads_E:-4.67472 ratio:2.2,dipole:7.59718,distance:12.7603,ads_E:-0.0579928
5 Cu54N -0.000 ratio:1.13,dipole:1.347,distance:1.752,ads_E:-2.917 -
6 Cu54O 0.000 ratio:1.130,dipole:1.922,distance:2.193,ads_E:-2.973 -
7 Cu54F -0.000 ratio:1.130,dipole:4.250,distance:2.711,ads_E:-2.537 -
8 Cu54Ar -0.000 ratio:1.04,dipole:-0.018,distance:4.088,ads_E:-0.017 ratio:1.3,dipole:0.002,distance:7.615,ads_E:-0.005