ASE database

Displaying rows 1-8 out of 8
↓ ID ✕ Formula ✕ no_equ_2 ✕ slab_E ✕ no_equ_30 ✕ no_equ_20 ✕ no_equ_14 ✕ no_equ_18 ✕
1 Cu54Li ratio:0.93,dipole:-1.125,distance:1.042,ads_E:-1.567 -190.592 - - ratio:1.5,dipole:-2.645,distance:7.839,ads_E:-0.084 -
2 BeCu54 ratio:0.93,dipole:0.340153,distance:0.19957,ads_E:-2.58415 -190.592 - - ratio:1.4,dipole:-0.047443,distance:5.39803,ads_E:-0.0134448 ratio:1.6,dipole:-0.00466727,distance:7.61014,ads_E:-0.0017761
3 Cu54B ratio:0.930,dipole:0.209,distance:-0.381,ads_E:-5.180 -190.592 - - ratio:1.500,dipole:-0.465,distance:5.598,ads_E:-0.193 -
4 Cu54C ratio:0.93,dipole:0.104359,distance:-0.462661,ads_E:-5.77067 -190.592 - ratio:2.1,dipole:5.51535,distance:11.7191,ads_E:-0.0591715 ratio:1.4,dipole:2.63066,distance:4.43087,ads_E:-0.175371 ratio:1.6,dipole:3.20521,distance:6.61329,ads_E:-0.0862335
5 Cu54N ratio:0.93,dipole:-0.001,distance:-0.350,ads_E:-4.156 -190.592 - - ratio:1.36,dipole:-0.067,distance:4.254,ads_E:-0.030 ratio:1.55,dipole:0.009,distance:6.168,ads_E:-0.002
6 Cu54O ratio:0.930,dipole:-0.058,distance:0.015,ads_E:-4.909 -190.592 - - ratio:1.550,dipole:3.996,distance:6.765,ads_E:-0.507 -
7 Cu54F ratio:0.930,dipole:0.015,distance:0.447,ads_E:-3.637 -190.592 - - ratio:1.600,dipole:10.431,distance:8.031,ads_E:-0.769 -
8 Cu54Ar ratio:0.92,dipole:-0.596,distance:2.460,ads_E:0.278 -190.592 ratio:1.48,dipole:0.000,distance:10.057,ads_E:-0.005 ratio:1.28,dipole:0.001,distance:7.344,ads_E:-0.005 ratio:1.16,dipole:0.006,distance:5.716,ads_E:-0.008 ratio:1.24,dipole:0.002,distance:6.801,ads_E:-0.005