ASE database

Displaying rows 1-25 out of 594
Formula ✕ no_equ_27 ✕ no_equ_21 ✕ no_equ_15 ✕ no_equ_29 ✕ no_equ_14 ✕ Charge ✕ plane_index ✕ no_equ_28 ✕
Cu54Li - - ratio:1.7,dipole:-2.867,distance:10.224,ads_E:-0.066 - ratio:1.5,dipole:-2.645,distance:7.839,ads_E:-0.084 0.000 100 -
BeCu54 - - ratio:1.45,dipole:-0.0224294,distance:5.95106,ads_E:-0.00714774 - ratio:1.4,dipole:-0.047443,distance:5.39803,ads_E:-0.0134448 0.000 100 -
Cu54B - - ratio:1.900,dipole:-0.558,distance:9.794,ads_E:-0.180 - ratio:1.500,dipole:-0.465,distance:5.598,ads_E:-0.193 0.000 100 -
Cu54C - ratio:2.2,dipole:7.59718,distance:12.7603,ads_E:-0.0579928 ratio:1.45,dipole:2.19263,distance:4.95146,ads_E:-0.182345 - ratio:1.4,dipole:2.63066,distance:4.43087,ads_E:-0.175371 0.000 100 -
Cu54N - - ratio:1.4,dipole:-0.095,distance:4.680,ads_E:-0.016 - ratio:1.36,dipole:-0.067,distance:4.254,ads_E:-0.030 0.000 100 -
Cu54O - - ratio:1.900,dipole:6.642,distance:10.576,ads_E:-0.174 - ratio:1.550,dipole:3.996,distance:6.765,ads_E:-0.507 0.000 100 -
Cu54F - - ratio:1.900,dipole:13.468,distance:11.427,ads_E:-0.666 - ratio:1.600,dipole:10.431,distance:8.031,ads_E:-0.769 0.000 100 -
Cu54Ar ratio:1.42,dipole:0.000,distance:9.243,ads_E:-0.005 ratio:1.3,dipole:0.002,distance:7.615,ads_E:-0.005 ratio:1.18,dipole:0.006,distance:5.987,ads_E:-0.007 ratio:1.46,dipole:0.000,distance:9.786,ads_E:-0.005 ratio:1.16,dipole:0.006,distance:5.716,ads_E:-0.008 0.000 100 ratio:1.44,dipole:0.000,distance:9.515,ads_E:-0.005