ASE database

Displaying rows 1-25 out of 31

Formula ✕	no_equ_2 ✕	no_equ_14 ✕
Cu₅₄Li	ratio:0.93,dipole:-1.125,distance:1.042,ads_E:-1.567	ratio:1.5,dipole:-2.645,distance:7.839,ads_E:-0.084
BeCu₅₄	ratio:0.93,dipole:0.340153,distance:0.19957,ads_E:-2.58415	ratio:1.4,dipole:-0.047443,distance:5.39803,ads_E:-0.0134448
Cu₅₄B	ratio:0.930,dipole:0.209,distance:-0.381,ads_E:-5.180	ratio:1.500,dipole:-0.465,distance:5.598,ads_E:-0.193
Cu₅₄C	ratio:0.93,dipole:0.104359,distance:-0.462661,ads_E:-5.77067	ratio:1.4,dipole:2.63066,distance:4.43087,ads_E:-0.175371
Cu₅₄N	ratio:0.93,dipole:-0.001,distance:-0.350,ads_E:-4.156	ratio:1.36,dipole:-0.067,distance:4.254,ads_E:-0.030
Cu₅₄O	ratio:0.930,dipole:-0.058,distance:0.015,ads_E:-4.909	ratio:1.550,dipole:3.996,distance:6.765,ads_E:-0.507
Cu₅₄F	ratio:0.930,dipole:0.015,distance:0.447,ads_E:-3.637	ratio:1.600,dipole:10.431,distance:8.031,ads_E:-0.769
Cu₅₄Ar	ratio:0.92,dipole:-0.596,distance:2.460,ads_E:0.278	ratio:1.16,dipole:0.006,distance:5.716,ads_E:-0.008