ASE database

ID Formula no_equ_13 no_equ_1 Magnetic moment
1 Cu54Li ratio:1.35,dipole:-2.533,distance:6.051,ads_E:-0.126 ratio:0.9,dipole:-0.645,distance:0.684,ads_E:-1.046 0.000
2 BeCu54 ratio:1.35,dipole:-0.0991408,distance:4.845,ads_E:-0.0276465 ratio:0.9,dipole:0.302883,distance:-0.132247,ads_E:-2.36046 -0.000
3 Cu54B ratio:1.400,dipole:-0.694,distance:4.626,ads_E:-0.236 ratio:0.900,dipole:-0.012,distance:-0.696,ads_E:-4.781 0.000
4 Cu54C ratio:1.35,dipole:2.50975,distance:3.91028,ads_E:-0.271632 ratio:0.9,dipole:-0.0331232,distance:-0.775014,ads_E:-5.11493 -0.000
5 Cu54N ratio:1.33,dipole:0.416,distance:3.855,ads_E:-0.042 ratio:0.9,dipole:-0.149,distance:-0.666,ads_E:-3.448 -0.000
6 Cu54O ratio:1.350,dipole:3.982,distance:4.588,ads_E:-0.321 ratio:0.900,dipole:-0.175,distance:-0.311,ads_E:-4.372 0.000
7 Cu54F ratio:1.550,dipole:9.933,distance:7.465,ads_E:-0.801 ratio:0.900,dipole:-0.137,distance:0.107,ads_E:-3.084 -0.000
8 Cu54Ar ratio:1.14,dipole:0.008,distance:5.445,ads_E:-0.009 ratio:0.9,dipole:-0.757,distance:2.324,ads_E:0.500 -0.000