ASE database

Displaying rows 1-25 out of 594
↓ ID ✕ Formula ✕ plane_index ✕ no_equ_20 ✕ Username ✕ no_equ_31 ✕ Dipole_val ✕ Number of atoms ✕ no_equ_19 ✕ no_equ_4 ✕
1 Cu54Li 100 - hecc - -2.989 55 - ratio:1,dipole:-2.353,distance:1.877,ads_E:-2.141
2 BeCu54 100 - hecc - -0.069 55 - ratio:1,dipole:0.00345513,distance:0.973808,ads_E:-2.95616
3 Cu54B 100 - hecc - 0.558 55 - ratio:1.000,dipole:0.557,distance:0.353,ads_E:-5.662
4 Cu54C 100 ratio:2.1,dipole:5.51535,distance:11.7191,ads_E:-0.0591715 hecc - 0.431 55 ratio:1.8,dipole:3.74248,distance:8.59558,ads_E:-0.0684837 ratio:1,dipole:0.52283,distance:0.266163,ads_E:-6.42427
5 Cu54N 100 - hecc - 0.356 55 ratio:1.6,dipole:0.009,distance:6.693,ads_E:-0.002 ratio:1,dipole:0.368,distance:0.386,ads_E:-4.725
6 Cu54O 100 - hecc - 0.473 55 - ratio:1.000,dipole:0.486,distance:0.778,ads_E:-5.406
7 Cu54F 100 - hecc - 0.677 55 - ratio:1.000,dipole:0.693,distance:1.239,ads_E:-4.335
8 Cu54Ar 100 ratio:1.28,dipole:0.001,distance:7.344,ads_E:-0.005 hecc ratio:1.5,dipole:0.000,distance:10.329,ads_E:-0.005 -0.049 55 ratio:1.26,dipole:0.002,distance:7.073,ads_E:-0.005 ratio:0.96,dipole:-0.291,distance:3.002,ads_E:0.057