ASE database

Displaying rows 1-8 out of 8
Formula ✕ no_equ_8 ✕ no_equ_31 ✕ Volume ✕ no_equ_17 ✕ plane_index ✕ PBC ✕ atom_E ✕ no_equ_13 ✕ Username ✕ no_equ_9 ✕ ads_site ✕
Cu54Li ratio:1.13,dipole:-3.714,distance:3.427,ads_E:-0.940 - 1730.483 - 100 TTT -0.299 ratio:1.35,dipole:-2.533,distance:6.051,ads_E:-0.126 hecc ratio:1.15,dipole:-3.511,distance:3.666,ads_E:-0.744 f
BeCu54 ratio:1.13,dipole:-0.472991,distance:2.41168,ads_E:-1.3327 - 1730.483 ratio:1.55,dipole:-0.00631543,distance:7.10066,ads_E:-0.00261613 100 TTT -0.039 ratio:1.35,dipole:-0.0991408,distance:4.845,ads_E:-0.0276465 hecc ratio:1.16,dipole:-0.39644,distance:2.7435,ads_E:-0.772653 f
Cu54B ratio:1.130,dipole:0.870,distance:1.717,ads_E:-4.122 - 1730.483 ratio:2.100,dipole:-0.833,distance:11.891,ads_E:-0.007 100 TTT -0.349 ratio:1.400,dipole:-0.694,distance:4.626,ads_E:-0.236 hecc ratio:1.160,dipole:0.981,distance:2.032,ads_E:-3.278 f
Cu54C ratio:1.13,dipole:1.19768,distance:1.61969,ads_E:-4.67472 - 1730.483 ratio:1.55,dipole:3.07149,distance:5.99264,ads_E:-0.095025 100 TTT -1.248 ratio:1.35,dipole:2.50975,distance:3.91028,ads_E:-0.271632 hecc ratio:1.16,dipole:1.37647,distance:1.93205,ads_E:-3.75037 f
Cu54N ratio:1.13,dipole:1.347,distance:1.752,ads_E:-2.917 - 1730.483 ratio:1.5,dipole:0.030,distance:5.736,ads_E:-0.004 100 TTT -3.124 ratio:1.33,dipole:0.416,distance:3.855,ads_E:-0.042 hecc ratio:1.16,dipole:1.554,distance:2.068,ads_E:-1.933 f
Cu54O ratio:1.130,dipole:1.922,distance:2.193,ads_E:-2.973 - 1730.483 - 100 TTT -1.533 ratio:1.350,dipole:3.982,distance:4.588,ads_E:-0.321 hecc ratio:1.160,dipole:2.453,distance:2.519,ads_E:-1.842 f
Cu54F ratio:1.130,dipole:4.250,distance:2.711,ads_E:-2.537 - 1730.483 - 100 TTT -0.424 ratio:1.550,dipole:9.933,distance:7.465,ads_E:-0.801 hecc ratio:1.160,dipole:5.403,distance:3.050,ads_E:-2.006 f
Cu54Ar ratio:1.04,dipole:-0.018,distance:4.088,ads_E:-0.017 ratio:1.5,dipole:0.000,distance:10.329,ads_E:-0.005 1730.483 ratio:1.22,dipole:0.004,distance:6.530,ads_E:-0.006 100 TTT -0.025 ratio:1.14,dipole:0.008,distance:5.445,ads_E:-0.009 hecc ratio:1.06,dipole:-0.003,distance:4.359,ads_E:-0.016 f