ASE database

ID Formula Magnetic moment Age no_equ_16 Energy Number of atoms no_equ_26
1 Cu54Li 0.000 13M ratio:1.9,dipole:-3.128,distance:12.609,ads_E:-0.058 -193.113 55 -
2 BeCu54 -0.000 13M ratio:1.5,dipole:-0.0113499,distance:6.50408,ads_E:-0.00416696 -193.566 55 -
3 Cu54B 0.000 13M ratio:2.000,dipole:-1.008,distance:10.843,ads_E:-0.007 -196.413 55 -
4 Cu54C -0.000 13M ratio:1.51,dipole:2.9677,distance:5.57616,ads_E:-0.10513 -198.094 55 -
5 Cu54N -0.000 13M ratio:1.45,dipole:0.007,distance:5.116,ads_E:-0.007 -198.315 55 -
6 Cu54O 0.000 13M ratio:2.100,dipole:4.187,distance:12.753,ads_E:-0.168 -197.510 55 -
7 Cu54F -0.000 13M - -195.280 55 -
8 Cu54Ar -0.000 13M ratio:1.2,dipole:0.005,distance:6.259,ads_E:-0.006 -190.598 55 ratio:1.4,dipole:0.000,distance:8.972,ads_E:-0.005