ASE database

Displaying rows 1-25 out of 594
Formula ✕ atom_E ✕ Charge ✕ no_equ_13 ✕ ads_E ✕ no_equ_6 ✕ Age ✕ no_equ_7 ✕
Cu54Li -0.299 0.000 ratio:1.35,dipole:-2.533,distance:6.051,ads_E:-0.126 -2.222 ratio:1.06,dipole:-3.520,distance:2.592,ads_E:-1.776 15M ratio:1.1,dipole:-4.039,distance:3.069,ads_E:-1.290
BeCu54 -0.039 0.000 ratio:1.35,dipole:-0.0991408,distance:4.845,ads_E:-0.0276465 -2.934 ratio:1.06,dipole:-0.280091,distance:1.63744,ads_E:-2.62506 15M ratio:1.1,dipole:-0.434967,distance:2.07986,ads_E:-1.97799
Cu54B -0.349 0.000 ratio:1.400,dipole:-0.694,distance:4.626,ads_E:-0.236 -5.472 ratio:1.060,dipole:0.683,distance:0.983,ads_E:-5.361 15M ratio:1.100,dipole:0.778,distance:1.402,ads_E:-4.794
Cu54C -1.248 0.000 ratio:1.35,dipole:2.50975,distance:3.91028,ads_E:-0.271632 -6.254 ratio:1.06,dipole:0.76872,distance:0.890869,ads_E:-6.06915 15M ratio:1.1,dipole:1.00519,distance:1.30734,ads_E:-5.4061
Cu54N -3.124 0.000 ratio:1.33,dipole:0.416,distance:3.855,ads_E:-0.042 -4.599 ratio:1.06,dipole:0.760,distance:1.016,ads_E:-4.404 15M ratio:1.1,dipole:1.088,distance:1.437,ads_E:-3.705
Cu54O -1.533 0.000 ratio:1.350,dipole:3.982,distance:4.588,ads_E:-0.321 -5.385 ratio:1.060,dipole:1.037,distance:1.431,ads_E:-4.883 15M ratio:1.100,dipole:1.502,distance:1.866,ads_E:-3.941
Cu54F -0.424 0.000 ratio:1.550,dipole:9.933,distance:7.465,ads_E:-0.801 -4.264 ratio:1.060,dipole:1.787,distance:1.918,ads_E:-3.859 15M ratio:1.100,dipole:3.086,distance:2.371,ads_E:-3.138
Cu54Ar -0.025 0.000 ratio:1.14,dipole:0.008,distance:5.445,ads_E:-0.009 0.020 ratio:1,dipole:-0.100,distance:3.545,ads_E:-0.007 15M ratio:1.02,dipole:-0.049,distance:3.817,ads_E:-0.015