ASE database

Displaying rows 1-8 out of 8
↓ ID ✕ Formula ✕ no_equ_22 ✕ Maximum stress ✕ no_equ_24 ✕ no_equ_6 ✕ no_equ_10 ✕ no_equ_18 ✕ no_equ_28 ✕ no_equ_7 ✕
1 Cu54Li - 0.009 - ratio:1.06,dipole:-3.520,distance:2.592,ads_E:-1.776 ratio:1.17,dipole:-3.222,distance:3.904,ads_E:-0.582 - - ratio:1.1,dipole:-4.039,distance:3.069,ads_E:-1.290
2 BeCu54 - 0.008 - ratio:1.06,dipole:-0.280091,distance:1.63744,ads_E:-2.62506 ratio:1.2,dipole:-0.359907,distance:3.18592,ads_E:-0.372501 ratio:1.6,dipole:-0.00466727,distance:7.61014,ads_E:-0.0017761 - ratio:1.1,dipole:-0.434967,distance:2.07986,ads_E:-1.97799
3 Cu54B - 0.008 - ratio:1.060,dipole:0.683,distance:0.983,ads_E:-5.361 ratio:1.200,dipole:0.935,distance:2.451,ads_E:-2.045 - - ratio:1.100,dipole:0.778,distance:1.402,ads_E:-4.794
4 Cu54C - 0.008 - ratio:1.06,dipole:0.76872,distance:0.890869,ads_E:-6.06915 ratio:1.2,dipole:1.54212,distance:2.34852,ads_E:-2.29339 ratio:1.6,dipole:3.20521,distance:6.61329,ads_E:-0.0862335 - ratio:1.1,dipole:1.00519,distance:1.30734,ads_E:-5.4061
5 Cu54N - 0.007 - ratio:1.06,dipole:0.760,distance:1.016,ads_E:-4.404 ratio:1.2,dipole:1.380,distance:2.488,ads_E:-0.433 ratio:1.55,dipole:0.009,distance:6.168,ads_E:-0.002 - ratio:1.1,dipole:1.088,distance:1.437,ads_E:-3.705
6 Cu54O - 0.009 - ratio:1.060,dipole:1.037,distance:1.431,ads_E:-4.883 ratio:1.200,dipole:3.021,distance:2.955,ads_E:-0.945 - - ratio:1.100,dipole:1.502,distance:1.866,ads_E:-3.941
7 Cu54F - 0.009 - ratio:1.060,dipole:1.787,distance:1.918,ads_E:-3.859 ratio:1.250,dipole:6.761,distance:4.069,ads_E:-1.287 - - ratio:1.100,dipole:3.086,distance:2.371,ads_E:-3.138
8 Cu54Ar ratio:1.32,dipole:0.002,distance:7.887,ads_E:-0.005 0.009 ratio:1.36,dipole:0.001,distance:8.429,ads_E:-0.005 ratio:1,dipole:-0.100,distance:3.545,ads_E:-0.007 ratio:1.08,dipole:0.005,distance:4.631,ads_E:-0.014 ratio:1.24,dipole:0.002,distance:6.801,ads_E:-0.005 ratio:1.44,dipole:0.000,distance:9.515,ads_E:-0.005 ratio:1.02,dipole:-0.049,distance:3.817,ads_E:-0.015