ASE database

Displaying rows 1-8 out of 8
↓ ID ✕ Formula ✕ no_equ_7 ✕ Mass ✕ no_equ_5 ✕ no_equ_22 ✕ no_equ_25 ✕ plane_index ✕ ads_E ✕ no_equ_20 ✕ atom_E ✕ no_equ_18 ✕
1 Cu54Li ratio:1.1,dipole:-4.039,distance:3.069,ads_E:-1.290 3438.424 ratio:1.03,dipole:-2.924,distance:2.235,ads_E:-2.040 - - 100 -2.222 - -0.299 -
2 BeCu54 ratio:1.1,dipole:-0.434967,distance:2.07986,ads_E:-1.97799 3440.496 ratio:1.03,dipole:-0.173906,distance:1.30562,ads_E:-2.87935 - - 100 -2.934 - -0.039 ratio:1.6,dipole:-0.00466727,distance:7.61014,ads_E:-0.0017761
3 Cu54B ratio:1.100,dipole:0.778,distance:1.402,ads_E:-4.794 3442.294 ratio:1.030,dipole:0.635,distance:0.668,ads_E:-5.579 - - 100 -5.472 - -0.349 -
4 Cu54C ratio:1.1,dipole:1.00519,distance:1.30734,ads_E:-5.4061 3443.495 ratio:1.03,dipole:0.653681,distance:0.578516,ads_E:-6.33223 - - 100 -6.254 ratio:2.1,dipole:5.51535,distance:11.7191,ads_E:-0.0591715 -1.248 ratio:1.6,dipole:3.20521,distance:6.61329,ads_E:-0.0862335
5 Cu54N ratio:1.1,dipole:1.088,distance:1.437,ads_E:-3.705 3445.491 ratio:1.03,dipole:0.566,distance:0.701,ads_E:-4.655 - - 100 -4.599 - -3.124 ratio:1.55,dipole:0.009,distance:6.168,ads_E:-0.002
6 Cu54O ratio:1.100,dipole:1.502,distance:1.866,ads_E:-3.941 3447.483 ratio:1.030,dipole:0.754,distance:1.104,ads_E:-5.283 - - 100 -5.385 - -1.533 -
7 Cu54F ratio:1.100,dipole:3.086,distance:2.371,ads_E:-3.138 3450.482 ratio:1.030,dipole:1.159,distance:1.579,ads_E:-4.212 - - 100 -4.264 - -0.424 -
8 Cu54Ar ratio:1.02,dipole:-0.049,distance:3.817,ads_E:-0.015 3471.432 ratio:0.98,dipole:-0.177,distance:3.274,ads_E:0.014 ratio:1.32,dipole:0.002,distance:7.887,ads_E:-0.005 ratio:1.38,dipole:0.000,distance:8.701,ads_E:-0.005 100 0.020 ratio:1.28,dipole:0.001,distance:7.344,ads_E:-0.005 -0.025 ratio:1.24,dipole:0.002,distance:6.801,ads_E:-0.005