ASE database

ID Formula no_equ_19 no_equ_29 no_equ_6 Magnetic moment Maximum stress
1 Cu54Li - - ratio:1.06,dipole:-3.520,distance:2.592,ads_E:-1.776 0.000 0.009
2 BeCu54 - - ratio:1.06,dipole:-0.280091,distance:1.63744,ads_E:-2.62506 -0.000 0.008
3 Cu54B - - ratio:1.060,dipole:0.683,distance:0.983,ads_E:-5.361 0.000 0.008
4 Cu54C ratio:1.8,dipole:3.74248,distance:8.59558,ads_E:-0.0684837 - ratio:1.06,dipole:0.76872,distance:0.890869,ads_E:-6.06915 -0.000 0.008
5 Cu54N ratio:1.6,dipole:0.009,distance:6.693,ads_E:-0.002 - ratio:1.06,dipole:0.760,distance:1.016,ads_E:-4.404 -0.000 0.007
6 Cu54O - - ratio:1.060,dipole:1.037,distance:1.431,ads_E:-4.883 0.000 0.009
7 Cu54F - - ratio:1.060,dipole:1.787,distance:1.918,ads_E:-3.859 -0.000 0.009
8 Cu54Ar ratio:1.26,dipole:0.002,distance:7.073,ads_E:-0.005 ratio:1.46,dipole:0.000,distance:9.786,ads_E:-0.005 ratio:1,dipole:-0.100,distance:3.545,ads_E:-0.007 -0.000 0.009