ASE database

Displaying rows 1-25 out of 594
↓ ID ✕ Formula ✕ atom_E ✕ no_equ_24 ✕ no_equ_18 ✕ no_equ_12 ✕ slab_E ✕
1 Cu54Li -0.299 - - ratio:1.3,dipole:-2.555,distance:5.454,ads_E:-0.165 -190.592
2 BeCu54 -0.039 - ratio:1.6,dipole:-0.00466727,distance:7.61014,ads_E:-0.0017761 ratio:1.3,dipole:-0.18803,distance:4.29197,ads_E:-0.0630632 -190.592
3 Cu54B -0.349 - - ratio:1.350,dipole:-0.748,distance:4.025,ads_E:-0.303 -190.592
4 Cu54C -1.248 - ratio:1.6,dipole:3.20521,distance:6.61329,ads_E:-0.0862335 ratio:1.3,dipole:2.30687,distance:3.38969,ads_E:-0.486531 -190.592
5 Cu54N -3.124 - ratio:1.55,dipole:0.009,distance:6.168,ads_E:-0.002 ratio:1.3,dipole:0.575,distance:3.539,ads_E:-0.068 -190.592
6 Cu54O -1.533 - - ratio:1.310,dipole:3.768,distance:4.152,ads_E:-0.372 -190.592
7 Cu54F -0.424 - - ratio:1.450,dipole:8.949,distance:6.333,ads_E:-0.889 -190.592
8 Cu54Ar -0.025 ratio:1.36,dipole:0.001,distance:8.429,ads_E:-0.005 ratio:1.24,dipole:0.002,distance:6.801,ads_E:-0.005 ratio:1.12,dipole:0.009,distance:5.173,ads_E:-0.010 -190.592