ASE database

Displaying rows 1-8 out of 8
Formula ✕ no_equ_21 ✕ no_equ_18 ✕ Dipole_val ✕ Maximum force ✕ no_equ_12 ✕ no_equ_16 ✕ ads_E ✕ no_equ_6 ✕
Cu54Li - - -2.989 0.009 ratio:1.3,dipole:-2.555,distance:5.454,ads_E:-0.165 ratio:1.9,dipole:-3.128,distance:12.609,ads_E:-0.058 -2.222 ratio:1.06,dipole:-3.520,distance:2.592,ads_E:-1.776
BeCu54 - ratio:1.6,dipole:-0.00466727,distance:7.61014,ads_E:-0.0017761 -0.069 0.010 ratio:1.3,dipole:-0.18803,distance:4.29197,ads_E:-0.0630632 ratio:1.5,dipole:-0.0113499,distance:6.50408,ads_E:-0.00416696 -2.934 ratio:1.06,dipole:-0.280091,distance:1.63744,ads_E:-2.62506
Cu54B - - 0.558 0.005 ratio:1.350,dipole:-0.748,distance:4.025,ads_E:-0.303 ratio:2.000,dipole:-1.008,distance:10.843,ads_E:-0.007 -5.472 ratio:1.060,dipole:0.683,distance:0.983,ads_E:-5.361
Cu54C ratio:2.2,dipole:7.59718,distance:12.7603,ads_E:-0.0579928 ratio:1.6,dipole:3.20521,distance:6.61329,ads_E:-0.0862335 0.431 0.010 ratio:1.3,dipole:2.30687,distance:3.38969,ads_E:-0.486531 ratio:1.51,dipole:2.9677,distance:5.57616,ads_E:-0.10513 -6.254 ratio:1.06,dipole:0.76872,distance:0.890869,ads_E:-6.06915
Cu54N - ratio:1.55,dipole:0.009,distance:6.168,ads_E:-0.002 0.356 0.005 ratio:1.3,dipole:0.575,distance:3.539,ads_E:-0.068 ratio:1.45,dipole:0.007,distance:5.116,ads_E:-0.007 -4.599 ratio:1.06,dipole:0.760,distance:1.016,ads_E:-4.404
Cu54O - - 0.473 0.008 ratio:1.310,dipole:3.768,distance:4.152,ads_E:-0.372 ratio:2.100,dipole:4.187,distance:12.753,ads_E:-0.168 -5.385 ratio:1.060,dipole:1.037,distance:1.431,ads_E:-4.883
Cu54F - - 0.677 0.006 ratio:1.450,dipole:8.949,distance:6.333,ads_E:-0.889 - -4.264 ratio:1.060,dipole:1.787,distance:1.918,ads_E:-3.859
Cu54Ar ratio:1.3,dipole:0.002,distance:7.615,ads_E:-0.005 ratio:1.24,dipole:0.002,distance:6.801,ads_E:-0.005 -0.049 0.007 ratio:1.12,dipole:0.009,distance:5.173,ads_E:-0.010 ratio:1.2,dipole:0.005,distance:6.259,ads_E:-0.006 0.020 ratio:1,dipole:-0.100,distance:3.545,ads_E:-0.007