ASE database

Displaying rows 1-18 out of 18
Formula ✕ Number of atoms ✕ Maximum force ✕ no_equ_21 ✕ no_equ_13 ✕ Mass ✕ no_equ_9 ✕ no_equ_8 ✕
Cu54Li 55 0.009 - ratio:1.35,dipole:-2.533,distance:6.051,ads_E:-0.126 3438.424 ratio:1.15,dipole:-3.511,distance:3.666,ads_E:-0.744 ratio:1.13,dipole:-3.714,distance:3.427,ads_E:-0.940
BeCu54 55 0.010 - ratio:1.35,dipole:-0.0991408,distance:4.845,ads_E:-0.0276465 3440.496 ratio:1.16,dipole:-0.39644,distance:2.7435,ads_E:-0.772653 ratio:1.13,dipole:-0.472991,distance:2.41168,ads_E:-1.3327
Cu54B 55 0.005 - ratio:1.400,dipole:-0.694,distance:4.626,ads_E:-0.236 3442.294 ratio:1.160,dipole:0.981,distance:2.032,ads_E:-3.278 ratio:1.130,dipole:0.870,distance:1.717,ads_E:-4.122
Cu54C 55 0.010 ratio:2.2,dipole:7.59718,distance:12.7603,ads_E:-0.0579928 ratio:1.35,dipole:2.50975,distance:3.91028,ads_E:-0.271632 3443.495 ratio:1.16,dipole:1.37647,distance:1.93205,ads_E:-3.75037 ratio:1.13,dipole:1.19768,distance:1.61969,ads_E:-4.67472
Cu54N 55 0.005 - ratio:1.33,dipole:0.416,distance:3.855,ads_E:-0.042 3445.491 ratio:1.16,dipole:1.554,distance:2.068,ads_E:-1.933 ratio:1.13,dipole:1.347,distance:1.752,ads_E:-2.917
Cu54O 55 0.008 - ratio:1.350,dipole:3.982,distance:4.588,ads_E:-0.321 3447.483 ratio:1.160,dipole:2.453,distance:2.519,ads_E:-1.842 ratio:1.130,dipole:1.922,distance:2.193,ads_E:-2.973
Cu54F 55 0.006 - ratio:1.550,dipole:9.933,distance:7.465,ads_E:-0.801 3450.482 ratio:1.160,dipole:5.403,distance:3.050,ads_E:-2.006 ratio:1.130,dipole:4.250,distance:2.711,ads_E:-2.537
Cu54Ar 55 0.007 ratio:1.3,dipole:0.002,distance:7.615,ads_E:-0.005 ratio:1.14,dipole:0.008,distance:5.445,ads_E:-0.009 3471.432 ratio:1.06,dipole:-0.003,distance:4.359,ads_E:-0.016 ratio:1.04,dipole:-0.018,distance:4.088,ads_E:-0.017