ASE database

Displaying rows 1-8 out of 8
Formula ✕ Charge ✕ no_equ_1 ✕ no_equ_14 ✕ no_equ_13 ✕
Cu54Li 0.000 ratio:0.9,dipole:-0.645,distance:0.684,ads_E:-1.046 ratio:1.5,dipole:-2.645,distance:7.839,ads_E:-0.084 ratio:1.35,dipole:-2.533,distance:6.051,ads_E:-0.126
BeCu54 0.000 ratio:0.9,dipole:0.302883,distance:-0.132247,ads_E:-2.36046 ratio:1.4,dipole:-0.047443,distance:5.39803,ads_E:-0.0134448 ratio:1.35,dipole:-0.0991408,distance:4.845,ads_E:-0.0276465
Cu54B 0.000 ratio:0.900,dipole:-0.012,distance:-0.696,ads_E:-4.781 ratio:1.500,dipole:-0.465,distance:5.598,ads_E:-0.193 ratio:1.400,dipole:-0.694,distance:4.626,ads_E:-0.236
Cu54C 0.000 ratio:0.9,dipole:-0.0331232,distance:-0.775014,ads_E:-5.11493 ratio:1.4,dipole:2.63066,distance:4.43087,ads_E:-0.175371 ratio:1.35,dipole:2.50975,distance:3.91028,ads_E:-0.271632
Cu54N 0.000 ratio:0.9,dipole:-0.149,distance:-0.666,ads_E:-3.448 ratio:1.36,dipole:-0.067,distance:4.254,ads_E:-0.030 ratio:1.33,dipole:0.416,distance:3.855,ads_E:-0.042
Cu54O 0.000 ratio:0.900,dipole:-0.175,distance:-0.311,ads_E:-4.372 ratio:1.550,dipole:3.996,distance:6.765,ads_E:-0.507 ratio:1.350,dipole:3.982,distance:4.588,ads_E:-0.321
Cu54F 0.000 ratio:0.900,dipole:-0.137,distance:0.107,ads_E:-3.084 ratio:1.600,dipole:10.431,distance:8.031,ads_E:-0.769 ratio:1.550,dipole:9.933,distance:7.465,ads_E:-0.801
Cu54Ar 0.000 ratio:0.9,dipole:-0.757,distance:2.324,ads_E:0.500 ratio:1.16,dipole:0.006,distance:5.716,ads_E:-0.008 ratio:1.14,dipole:0.008,distance:5.445,ads_E:-0.009