ASE database

Displaying rows 1-25 out of 594
Formula ✕ distance ✕ no_equ_12 ✕ no_equ_14 ✕
Cu54Li 1.865 ratio:1.3,dipole:-2.555,distance:5.454,ads_E:-0.165 ratio:1.5,dipole:-2.645,distance:7.839,ads_E:-0.084
BeCu54 1.012 ratio:1.3,dipole:-0.18803,distance:4.29197,ads_E:-0.0630632 ratio:1.4,dipole:-0.047443,distance:5.39803,ads_E:-0.0134448
Cu54B 0.409 ratio:1.350,dipole:-0.748,distance:4.025,ads_E:-0.303 ratio:1.500,dipole:-0.465,distance:5.598,ads_E:-0.193
Cu54C 0.260 ratio:1.3,dipole:2.30687,distance:3.38969,ads_E:-0.486531 ratio:1.4,dipole:2.63066,distance:4.43087,ads_E:-0.175371
Cu54N 0.399 ratio:1.3,dipole:0.575,distance:3.539,ads_E:-0.068 ratio:1.36,dipole:-0.067,distance:4.254,ads_E:-0.030
Cu54O 0.772 ratio:1.310,dipole:3.768,distance:4.152,ads_E:-0.372 ratio:1.550,dipole:3.996,distance:6.765,ads_E:-0.507
Cu54F 1.238 ratio:1.450,dipole:8.949,distance:6.333,ads_E:-0.889 ratio:1.600,dipole:10.431,distance:8.031,ads_E:-0.769
Cu54Ar 3.861 ratio:1.12,dipole:0.009,distance:5.173,ads_E:-0.010 ratio:1.16,dipole:0.006,distance:5.716,ads_E:-0.008