ASE database

Displaying rows 1-8 out of 8
↓ ID ✕ Formula ✕ Mass ✕ atom_E ✕ no_equ_3 ✕ no_equ_23 ✕ no_equ_15 ✕ no_equ_12 ✕ slab_E ✕
1 Cu54Li 3438.424 -0.299 ratio:0.96,dipole:-1.624,distance:1.400,ads_E:-1.949 - ratio:1.7,dipole:-2.867,distance:10.224,ads_E:-0.066 ratio:1.3,dipole:-2.555,distance:5.454,ads_E:-0.165 -190.592
2 BeCu54 3440.496 -0.039 ratio:0.96,dipole:0.234375,distance:0.531386,ads_E:-2.83237 - ratio:1.45,dipole:-0.0224294,distance:5.95106,ads_E:-0.00714774 ratio:1.3,dipole:-0.18803,distance:4.29197,ads_E:-0.0630632 -190.592
3 Cu54B 3442.294 -0.349 ratio:0.960,dipole:0.398,distance:-0.066,ads_E:-5.490 - ratio:1.900,dipole:-0.558,distance:9.794,ads_E:-0.180 ratio:1.350,dipole:-0.748,distance:4.025,ads_E:-0.303 -190.592
4 Cu54C 3443.495 -1.248 ratio:0.96,dipole:0.291413,distance:-0.150308,ads_E:-6.20762 - ratio:1.45,dipole:2.19263,distance:4.95146,ads_E:-0.182345 ratio:1.3,dipole:2.30687,distance:3.38969,ads_E:-0.486531 -190.592
5 Cu54N 3445.491 -3.124 ratio:0.96,dipole:0.160,distance:-0.035,ads_E:-4.570 - ratio:1.4,dipole:-0.095,distance:4.680,ads_E:-0.016 ratio:1.3,dipole:0.575,distance:3.539,ads_E:-0.068 -190.592
6 Cu54O 3447.483 -1.533 ratio:0.960,dipole:0.131,distance:0.342,ads_E:-5.226 - ratio:1.900,dipole:6.642,distance:10.576,ads_E:-0.174 ratio:1.310,dipole:3.768,distance:4.152,ads_E:-0.372 -190.592
7 Cu54F 3450.482 -0.424 ratio:0.960,dipole:0.260,distance:0.787,ads_E:-4.090 - ratio:1.900,dipole:13.468,distance:11.427,ads_E:-0.666 ratio:1.450,dipole:8.949,distance:6.333,ads_E:-0.889 -190.592
8 Cu54Ar 3471.432 -0.025 ratio:0.94,dipole:-0.431,distance:2.731,ads_E:0.139 ratio:1.34,dipole:0.001,distance:8.158,ads_E:-0.005 ratio:1.18,dipole:0.006,distance:5.987,ads_E:-0.007 ratio:1.12,dipole:0.009,distance:5.173,ads_E:-0.010 -190.592