ASE database

Displaying rows 1-25 out of 594
↓ ID ✕ Formula ✕ Charge ✕ no_equ_18 ✕ no_equ_8 ✕ no_equ_7 ✕
1 Cu54Li 0.000 - ratio:1.13,dipole:-3.714,distance:3.427,ads_E:-0.940 ratio:1.1,dipole:-4.039,distance:3.069,ads_E:-1.290
2 BeCu54 0.000 ratio:1.6,dipole:-0.00466727,distance:7.61014,ads_E:-0.0017761 ratio:1.13,dipole:-0.472991,distance:2.41168,ads_E:-1.3327 ratio:1.1,dipole:-0.434967,distance:2.07986,ads_E:-1.97799
3 Cu54B 0.000 - ratio:1.130,dipole:0.870,distance:1.717,ads_E:-4.122 ratio:1.100,dipole:0.778,distance:1.402,ads_E:-4.794
4 Cu54C 0.000 ratio:1.6,dipole:3.20521,distance:6.61329,ads_E:-0.0862335 ratio:1.13,dipole:1.19768,distance:1.61969,ads_E:-4.67472 ratio:1.1,dipole:1.00519,distance:1.30734,ads_E:-5.4061
5 Cu54N 0.000 ratio:1.55,dipole:0.009,distance:6.168,ads_E:-0.002 ratio:1.13,dipole:1.347,distance:1.752,ads_E:-2.917 ratio:1.1,dipole:1.088,distance:1.437,ads_E:-3.705
6 Cu54O 0.000 - ratio:1.130,dipole:1.922,distance:2.193,ads_E:-2.973 ratio:1.100,dipole:1.502,distance:1.866,ads_E:-3.941
7 Cu54F 0.000 - ratio:1.130,dipole:4.250,distance:2.711,ads_E:-2.537 ratio:1.100,dipole:3.086,distance:2.371,ads_E:-3.138
8 Cu54Ar 0.000 ratio:1.24,dipole:0.002,distance:6.801,ads_E:-0.005 ratio:1.04,dipole:-0.018,distance:4.088,ads_E:-0.017 ratio:1.02,dipole:-0.049,distance:3.817,ads_E:-0.015