ASE database

Displaying rows 1-25 out of 594
↓ ID ✕ Formula ✕ Charge ✕ no_equ_18 ✕ no_equ_8 ✕ no_equ_7 ✕ distance ✕ no_equ_25 ✕ no_equ_22 ✕ no_equ_4 ✕
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 1.865 - - ratio:1,dipole:-2.353,distance:1.877,ads_E:-2.141
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 1.012 - - ratio:1,dipole:0.00345513,distance:0.973808,ads_E:-2.95616
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 0.409 - - ratio:1.000,dipole:0.557,distance:0.353,ads_E:-5.662
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 0.260 - - ratio:1,dipole:0.52283,distance:0.266163,ads_E:-6.42427
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 0.399 - - ratio:1,dipole:0.368,distance:0.386,ads_E:-4.725
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 0.772 - - ratio:1.000,dipole:0.486,distance:0.778,ads_E:-5.406
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 1.238 - - ratio:1.000,dipole:0.693,distance:1.239,ads_E:-4.335
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 3.861 ratio:1.38,dipole:0.000,distance:8.701,ads_E:-0.005 ratio:1.32,dipole:0.002,distance:7.887,ads_E:-0.005 ratio:0.96,dipole:-0.291,distance:3.002,ads_E:0.057