ASE database

Displaying rows 1-25 out of 31
Formula ✕ no_equ_7 ✕ Magnetic moment ✕ no_equ_30 ✕ no_equ_13 ✕ Maximum stress ✕ no_equ_10 ✕
Cu54Li ratio:1.1,dipole:-4.039,distance:3.069,ads_E:-1.290 0.000 - ratio:1.35,dipole:-2.533,distance:6.051,ads_E:-0.126 0.009 ratio:1.17,dipole:-3.222,distance:3.904,ads_E:-0.582
BeCu54 ratio:1.1,dipole:-0.434967,distance:2.07986,ads_E:-1.97799 -0.000 - ratio:1.35,dipole:-0.0991408,distance:4.845,ads_E:-0.0276465 0.008 ratio:1.2,dipole:-0.359907,distance:3.18592,ads_E:-0.372501
Cu54B ratio:1.100,dipole:0.778,distance:1.402,ads_E:-4.794 0.000 - ratio:1.400,dipole:-0.694,distance:4.626,ads_E:-0.236 0.008 ratio:1.200,dipole:0.935,distance:2.451,ads_E:-2.045
Cu54C ratio:1.1,dipole:1.00519,distance:1.30734,ads_E:-5.4061 -0.000 - ratio:1.35,dipole:2.50975,distance:3.91028,ads_E:-0.271632 0.008 ratio:1.2,dipole:1.54212,distance:2.34852,ads_E:-2.29339
Cu54N ratio:1.1,dipole:1.088,distance:1.437,ads_E:-3.705 -0.000 - ratio:1.33,dipole:0.416,distance:3.855,ads_E:-0.042 0.007 ratio:1.2,dipole:1.380,distance:2.488,ads_E:-0.433
Cu54O ratio:1.100,dipole:1.502,distance:1.866,ads_E:-3.941 0.000 - ratio:1.350,dipole:3.982,distance:4.588,ads_E:-0.321 0.009 ratio:1.200,dipole:3.021,distance:2.955,ads_E:-0.945
Cu54F ratio:1.100,dipole:3.086,distance:2.371,ads_E:-3.138 -0.000 - ratio:1.550,dipole:9.933,distance:7.465,ads_E:-0.801 0.009 ratio:1.250,dipole:6.761,distance:4.069,ads_E:-1.287
Cu54Ar ratio:1.02,dipole:-0.049,distance:3.817,ads_E:-0.015 -0.000 ratio:1.48,dipole:0.000,distance:10.057,ads_E:-0.005 ratio:1.14,dipole:0.008,distance:5.445,ads_E:-0.009 0.009 ratio:1.08,dipole:0.005,distance:4.631,ads_E:-0.014