ASE database

Displaying rows 1-25 out of 594
↓ ID ✕ Formula ✕ Username ✕ no_equ_3 ✕ no_equ_24 ✕ atom_E ✕ no_equ_20 ✕ no_equ_29 ✕ no_equ_6 ✕
1 Cu54Li hecc ratio:0.96,dipole:-1.624,distance:1.400,ads_E:-1.949 - -0.299 - - ratio:1.06,dipole:-3.520,distance:2.592,ads_E:-1.776
2 BeCu54 hecc ratio:0.96,dipole:0.234375,distance:0.531386,ads_E:-2.83237 - -0.039 - - ratio:1.06,dipole:-0.280091,distance:1.63744,ads_E:-2.62506
3 Cu54B hecc ratio:0.960,dipole:0.398,distance:-0.066,ads_E:-5.490 - -0.349 - - ratio:1.060,dipole:0.683,distance:0.983,ads_E:-5.361
4 Cu54C hecc ratio:0.96,dipole:0.291413,distance:-0.150308,ads_E:-6.20762 - -1.248 ratio:2.1,dipole:5.51535,distance:11.7191,ads_E:-0.0591715 - ratio:1.06,dipole:0.76872,distance:0.890869,ads_E:-6.06915
5 Cu54N hecc ratio:0.96,dipole:0.160,distance:-0.035,ads_E:-4.570 - -3.124 - - ratio:1.06,dipole:0.760,distance:1.016,ads_E:-4.404
6 Cu54O hecc ratio:0.960,dipole:0.131,distance:0.342,ads_E:-5.226 - -1.533 - - ratio:1.060,dipole:1.037,distance:1.431,ads_E:-4.883
7 Cu54F hecc ratio:0.960,dipole:0.260,distance:0.787,ads_E:-4.090 - -0.424 - - ratio:1.060,dipole:1.787,distance:1.918,ads_E:-3.859
8 Cu54Ar hecc ratio:0.94,dipole:-0.431,distance:2.731,ads_E:0.139 ratio:1.36,dipole:0.001,distance:8.429,ads_E:-0.005 -0.025 ratio:1.28,dipole:0.001,distance:7.344,ads_E:-0.005 ratio:1.46,dipole:0.000,distance:9.786,ads_E:-0.005 ratio:1,dipole:-0.100,distance:3.545,ads_E:-0.007