ASE database

ID Formula Magnetic moment Username PBC no_equ_4 ads_E
1 Cu54Li 0.000 hecc TTT ratio:1,dipole:-2.353,distance:1.877,ads_E:-2.141 -2.222
2 BeCu54 -0.000 hecc TTT ratio:1,dipole:0.00345513,distance:0.973808,ads_E:-2.95616 -2.934
3 Cu54B 0.000 hecc TTT ratio:1.000,dipole:0.557,distance:0.353,ads_E:-5.662 -5.472
4 Cu54C -0.000 hecc TTT ratio:1,dipole:0.52283,distance:0.266163,ads_E:-6.42427 -6.254
5 Cu54N -0.000 hecc TTT ratio:1,dipole:0.368,distance:0.386,ads_E:-4.725 -4.599
6 Cu54O 0.000 hecc TTT ratio:1.000,dipole:0.486,distance:0.778,ads_E:-5.406 -5.385
7 Cu54F -0.000 hecc TTT ratio:1.000,dipole:0.693,distance:1.239,ads_E:-4.335 -4.264
8 Cu54Ar -0.000 hecc TTT ratio:0.96,dipole:-0.291,distance:3.002,ads_E:0.057 0.020