ASE database

Displaying rows 1-25 out of 594
Formula ✕ distance ✕ no_equ_12 ✕ no_equ_14 ✕ no_equ_4 ✕ no_equ_19 ✕ slab_E ✕ Dipole_val ✕ str_E ✕
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 ratio:1,dipole:-2.353,distance:1.877,ads_E:-2.141 - -190.592 -2.989 -193.113
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 ratio:1,dipole:0.00345513,distance:0.973808,ads_E:-2.95616 - -190.592 -0.069 -193.566
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 ratio:1.000,dipole:0.557,distance:0.353,ads_E:-5.662 - -190.592 0.558 -196.413
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 ratio:1,dipole:0.52283,distance:0.266163,ads_E:-6.42427 ratio:1.8,dipole:3.74248,distance:8.59558,ads_E:-0.0684837 -190.592 0.431 -198.094
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 ratio:1,dipole:0.368,distance:0.386,ads_E:-4.725 ratio:1.6,dipole:0.009,distance:6.693,ads_E:-0.002 -190.592 0.356 -198.315
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 ratio:1.000,dipole:0.486,distance:0.778,ads_E:-5.406 - -190.592 0.473 -197.510
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 ratio:1.000,dipole:0.693,distance:1.239,ads_E:-4.335 - -190.592 0.677 -195.280
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 ratio:0.96,dipole:-0.291,distance:3.002,ads_E:0.057 ratio:1.26,dipole:0.002,distance:7.073,ads_E:-0.005 -190.592 -0.049 -190.598