ASE database

Displaying rows 1-25 out of 594
ID ✕ Formula ✕ Dipole_val ✕ plane_index ✕ Volume ✕ ads_site ✕ Charge ✕ no_equ_22 ✕ no_equ_3 ✕
1 Cu54Li -2.989 100 1730.483 f 0.000 - ratio:0.96,dipole:-1.624,distance:1.400,ads_E:-1.949
2 BeCu54 -0.069 100 1730.483 f 0.000 - ratio:0.96,dipole:0.234375,distance:0.531386,ads_E:-2.83237
3 Cu54B 0.558 100 1730.483 f 0.000 - ratio:0.960,dipole:0.398,distance:-0.066,ads_E:-5.490
4 Cu54C 0.431 100 1730.483 f 0.000 - ratio:0.96,dipole:0.291413,distance:-0.150308,ads_E:-6.20762
5 Cu54N 0.356 100 1730.483 f 0.000 - ratio:0.96,dipole:0.160,distance:-0.035,ads_E:-4.570
6 Cu54O 0.473 100 1730.483 f 0.000 - ratio:0.960,dipole:0.131,distance:0.342,ads_E:-5.226
7 Cu54F 0.677 100 1730.483 f 0.000 - ratio:0.960,dipole:0.260,distance:0.787,ads_E:-4.090
8 Cu54Ar -0.049 100 1730.483 f 0.000 ratio:1.32,dipole:0.002,distance:7.887,ads_E:-0.005 ratio:0.94,dipole:-0.431,distance:2.731,ads_E:0.139