ASE database

ID Formula no_equ_14 Age atom_E no_equ_6
1 Cu54Li ratio:1.5,dipole:-2.645,distance:7.839,ads_E:-0.084 15M -0.299 ratio:1.06,dipole:-3.520,distance:2.592,ads_E:-1.776
2 BeCu54 ratio:1.4,dipole:-0.047443,distance:5.39803,ads_E:-0.0134448 15M -0.039 ratio:1.06,dipole:-0.280091,distance:1.63744,ads_E:-2.62506
3 Cu54B ratio:1.500,dipole:-0.465,distance:5.598,ads_E:-0.193 15M -0.349 ratio:1.060,dipole:0.683,distance:0.983,ads_E:-5.361
4 Cu54C ratio:1.4,dipole:2.63066,distance:4.43087,ads_E:-0.175371 15M -1.248 ratio:1.06,dipole:0.76872,distance:0.890869,ads_E:-6.06915
5 Cu54N ratio:1.36,dipole:-0.067,distance:4.254,ads_E:-0.030 15M -3.124 ratio:1.06,dipole:0.760,distance:1.016,ads_E:-4.404
6 Cu54O ratio:1.550,dipole:3.996,distance:6.765,ads_E:-0.507 15M -1.533 ratio:1.060,dipole:1.037,distance:1.431,ads_E:-4.883
7 Cu54F ratio:1.600,dipole:10.431,distance:8.031,ads_E:-0.769 15M -0.424 ratio:1.060,dipole:1.787,distance:1.918,ads_E:-3.859
8 Cu54Ar ratio:1.16,dipole:0.006,distance:5.716,ads_E:-0.008 15M -0.025 ratio:1,dipole:-0.100,distance:3.545,ads_E:-0.007