ASE database

Displaying rows 1-8 out of 8
Formula ✕ no_equ_24 ✕ no_equ_25 ✕ Energy ✕ no_equ_26 ✕ no_equ_2 ✕ Volume ✕ Charge ✕ no_equ_18 ✕ slab_E ✕ no_equ_30 ✕ no_equ_21 ✕ no_equ_4 ✕ Number of atoms ✕
Cu54Li - - -193.113 - ratio:0.93,dipole:-1.125,distance:1.042,ads_E:-1.567 1730.483 0.000 - -190.592 - - ratio:1,dipole:-2.353,distance:1.877,ads_E:-2.141 55
BeCu54 - - -193.566 - ratio:0.93,dipole:0.340153,distance:0.19957,ads_E:-2.58415 1730.483 0.000 ratio:1.6,dipole:-0.00466727,distance:7.61014,ads_E:-0.0017761 -190.592 - - ratio:1,dipole:0.00345513,distance:0.973808,ads_E:-2.95616 55
Cu54B - - -196.413 - ratio:0.930,dipole:0.209,distance:-0.381,ads_E:-5.180 1730.483 0.000 - -190.592 - - ratio:1.000,dipole:0.557,distance:0.353,ads_E:-5.662 55
Cu54C - - -198.094 - ratio:0.93,dipole:0.104359,distance:-0.462661,ads_E:-5.77067 1730.483 0.000 ratio:1.6,dipole:3.20521,distance:6.61329,ads_E:-0.0862335 -190.592 - ratio:2.2,dipole:7.59718,distance:12.7603,ads_E:-0.0579928 ratio:1,dipole:0.52283,distance:0.266163,ads_E:-6.42427 55
Cu54N - - -198.315 - ratio:0.93,dipole:-0.001,distance:-0.350,ads_E:-4.156 1730.483 0.000 ratio:1.55,dipole:0.009,distance:6.168,ads_E:-0.002 -190.592 - - ratio:1,dipole:0.368,distance:0.386,ads_E:-4.725 55
Cu54O - - -197.510 - ratio:0.930,dipole:-0.058,distance:0.015,ads_E:-4.909 1730.483 0.000 - -190.592 - - ratio:1.000,dipole:0.486,distance:0.778,ads_E:-5.406 55
Cu54F - - -195.280 - ratio:0.930,dipole:0.015,distance:0.447,ads_E:-3.637 1730.483 0.000 - -190.592 - - ratio:1.000,dipole:0.693,distance:1.239,ads_E:-4.335 55
Cu54Ar ratio:1.36,dipole:0.001,distance:8.429,ads_E:-0.005 ratio:1.38,dipole:0.000,distance:8.701,ads_E:-0.005 -190.598 ratio:1.4,dipole:0.000,distance:8.972,ads_E:-0.005 ratio:0.92,dipole:-0.596,distance:2.460,ads_E:0.278 1730.483 0.000 ratio:1.24,dipole:0.002,distance:6.801,ads_E:-0.005 -190.592 ratio:1.48,dipole:0.000,distance:10.057,ads_E:-0.005 ratio:1.3,dipole:0.002,distance:7.615,ads_E:-0.005 ratio:0.96,dipole:-0.291,distance:3.002,ads_E:0.057 55