ASE database

Displaying rows 1-8 out of 8
Formula ✕ no_equ_28 ✕ no_equ_27 ✕ no_equ_2 ✕ Number of atoms ✕ no_equ_18 ✕ no_equ_25 ✕ no_equ_30 ✕ Charge ✕ no_equ_12 ✕ no_equ_15 ✕
Cu54Li - - ratio:0.93,dipole:-1.125,distance:1.042,ads_E:-1.567 55 - - - 0.000 ratio:1.3,dipole:-2.555,distance:5.454,ads_E:-0.165 ratio:1.7,dipole:-2.867,distance:10.224,ads_E:-0.066
BeCu54 - - ratio:0.93,dipole:0.340153,distance:0.19957,ads_E:-2.58415 55 ratio:1.6,dipole:-0.00466727,distance:7.61014,ads_E:-0.0017761 - - 0.000 ratio:1.3,dipole:-0.18803,distance:4.29197,ads_E:-0.0630632 ratio:1.45,dipole:-0.0224294,distance:5.95106,ads_E:-0.00714774
Cu54B - - ratio:0.930,dipole:0.209,distance:-0.381,ads_E:-5.180 55 - - - 0.000 ratio:1.350,dipole:-0.748,distance:4.025,ads_E:-0.303 ratio:1.900,dipole:-0.558,distance:9.794,ads_E:-0.180
Cu54C - - ratio:0.93,dipole:0.104359,distance:-0.462661,ads_E:-5.77067 55 ratio:1.6,dipole:3.20521,distance:6.61329,ads_E:-0.0862335 - - 0.000 ratio:1.3,dipole:2.30687,distance:3.38969,ads_E:-0.486531 ratio:1.45,dipole:2.19263,distance:4.95146,ads_E:-0.182345
Cu54N - - ratio:0.93,dipole:-0.001,distance:-0.350,ads_E:-4.156 55 ratio:1.55,dipole:0.009,distance:6.168,ads_E:-0.002 - - 0.000 ratio:1.3,dipole:0.575,distance:3.539,ads_E:-0.068 ratio:1.4,dipole:-0.095,distance:4.680,ads_E:-0.016
Cu54O - - ratio:0.930,dipole:-0.058,distance:0.015,ads_E:-4.909 55 - - - 0.000 ratio:1.310,dipole:3.768,distance:4.152,ads_E:-0.372 ratio:1.900,dipole:6.642,distance:10.576,ads_E:-0.174
Cu54F - - ratio:0.930,dipole:0.015,distance:0.447,ads_E:-3.637 55 - - - 0.000 ratio:1.450,dipole:8.949,distance:6.333,ads_E:-0.889 ratio:1.900,dipole:13.468,distance:11.427,ads_E:-0.666
Cu54Ar ratio:1.44,dipole:0.000,distance:9.515,ads_E:-0.005 ratio:1.42,dipole:0.000,distance:9.243,ads_E:-0.005 ratio:0.92,dipole:-0.596,distance:2.460,ads_E:0.278 55 ratio:1.24,dipole:0.002,distance:6.801,ads_E:-0.005 ratio:1.38,dipole:0.000,distance:8.701,ads_E:-0.005 ratio:1.48,dipole:0.000,distance:10.057,ads_E:-0.005 0.000 ratio:1.12,dipole:0.009,distance:5.173,ads_E:-0.010 ratio:1.18,dipole:0.006,distance:5.987,ads_E:-0.007