ASE database

Displaying rows 1-8 out of 8
↓ ID ✕ Formula ✕ atom_E ✕ no_equ_28 ✕ slab_E ✕ no_equ_2 ✕ no_equ_25 ✕ Username ✕ Mass ✕ no_equ_11 ✕
1 Cu54Li -0.299 - -190.592 ratio:0.93,dipole:-1.125,distance:1.042,ads_E:-1.567 - hecc 3438.424 ratio:1.25,dipole:-2.667,distance:4.858,ads_E:-0.244
2 BeCu54 -0.039 - -190.592 ratio:0.93,dipole:0.340153,distance:0.19957,ads_E:-2.58415 - hecc 3440.496 ratio:1.25,dipole:-0.291055,distance:3.73895,ads_E:-0.152313
3 Cu54B -0.349 - -190.592 ratio:0.930,dipole:0.209,distance:-0.381,ads_E:-5.180 - hecc 3442.294 ratio:1.250,dipole:-0.107,distance:2.976,ads_E:-0.989
4 Cu54C -1.248 - -190.592 ratio:0.93,dipole:0.104359,distance:-0.462661,ads_E:-5.77067 - hecc 3443.495 ratio:1.25,dipole:1.94527,distance:2.86911,ads_E:-0.945693
5 Cu54N -3.124 - -190.592 ratio:0.93,dipole:-0.001,distance:-0.350,ads_E:-4.156 - hecc 3445.491 ratio:1.25,dipole:0.908,distance:3.014,ads_E:-0.162
6 Cu54O -1.533 - -190.592 ratio:0.930,dipole:-0.058,distance:0.015,ads_E:-4.909 - hecc 3447.483 ratio:1.250,dipole:3.446,distance:3.499,ads_E:-0.537
7 Cu54F -0.424 - -190.592 ratio:0.930,dipole:0.015,distance:0.447,ads_E:-3.637 - hecc 3450.482 ratio:1.300,dipole:7.369,distance:4.635,ads_E:-1.125
8 Cu54Ar -0.025 ratio:1.44,dipole:0.000,distance:9.515,ads_E:-0.005 -190.592 ratio:0.92,dipole:-0.596,distance:2.460,ads_E:0.278 ratio:1.38,dipole:0.000,distance:8.701,ads_E:-0.005 hecc 3471.432 ratio:1.1,dipole:0.008,distance:4.902,ads_E:-0.012