ASE database

Displaying rows 1-25 out of 594
↓ ID ✕ Formula ✕ plane_index ✕ no_equ_30 ✕ no_equ_16 ✕ no_equ_15 ✕ no_equ_3 ✕ Number of atoms ✕ atom_E ✕
1 Cu54Li 100 - ratio:1.9,dipole:-3.128,distance:12.609,ads_E:-0.058 ratio:1.7,dipole:-2.867,distance:10.224,ads_E:-0.066 ratio:0.96,dipole:-1.624,distance:1.400,ads_E:-1.949 55 -0.299
2 BeCu54 100 - ratio:1.5,dipole:-0.0113499,distance:6.50408,ads_E:-0.00416696 ratio:1.45,dipole:-0.0224294,distance:5.95106,ads_E:-0.00714774 ratio:0.96,dipole:0.234375,distance:0.531386,ads_E:-2.83237 55 -0.039
3 Cu54B 100 - ratio:2.000,dipole:-1.008,distance:10.843,ads_E:-0.007 ratio:1.900,dipole:-0.558,distance:9.794,ads_E:-0.180 ratio:0.960,dipole:0.398,distance:-0.066,ads_E:-5.490 55 -0.349
4 Cu54C 100 - ratio:1.51,dipole:2.9677,distance:5.57616,ads_E:-0.10513 ratio:1.45,dipole:2.19263,distance:4.95146,ads_E:-0.182345 ratio:0.96,dipole:0.291413,distance:-0.150308,ads_E:-6.20762 55 -1.248
5 Cu54N 100 - ratio:1.45,dipole:0.007,distance:5.116,ads_E:-0.007 ratio:1.4,dipole:-0.095,distance:4.680,ads_E:-0.016 ratio:0.96,dipole:0.160,distance:-0.035,ads_E:-4.570 55 -3.124
6 Cu54O 100 - ratio:2.100,dipole:4.187,distance:12.753,ads_E:-0.168 ratio:1.900,dipole:6.642,distance:10.576,ads_E:-0.174 ratio:0.960,dipole:0.131,distance:0.342,ads_E:-5.226 55 -1.533
7 Cu54F 100 - - ratio:1.900,dipole:13.468,distance:11.427,ads_E:-0.666 ratio:0.960,dipole:0.260,distance:0.787,ads_E:-4.090 55 -0.424
8 Cu54Ar 100 ratio:1.48,dipole:0.000,distance:10.057,ads_E:-0.005 ratio:1.2,dipole:0.005,distance:6.259,ads_E:-0.006 ratio:1.18,dipole:0.006,distance:5.987,ads_E:-0.007 ratio:0.94,dipole:-0.431,distance:2.731,ads_E:0.139 55 -0.025