ASE database

Displaying rows 1-8 out of 8
↓ ID ✕ Formula ✕ no_equ_11 ✕ Mass ✕ slab_E ✕ no_equ_24 ✕ no_equ_31 ✕ str_E ✕ Dipole_val ✕ no_equ_2 ✕
1 Cu54Li ratio:1.25,dipole:-2.667,distance:4.858,ads_E:-0.244 3438.424 -190.592 - - -193.113 -2.989 ratio:0.93,dipole:-1.125,distance:1.042,ads_E:-1.567
2 BeCu54 ratio:1.25,dipole:-0.291055,distance:3.73895,ads_E:-0.152313 3440.496 -190.592 - - -193.566 -0.069 ratio:0.93,dipole:0.340153,distance:0.19957,ads_E:-2.58415
3 Cu54B ratio:1.250,dipole:-0.107,distance:2.976,ads_E:-0.989 3442.294 -190.592 - - -196.413 0.558 ratio:0.930,dipole:0.209,distance:-0.381,ads_E:-5.180
4 Cu54C ratio:1.25,dipole:1.94527,distance:2.86911,ads_E:-0.945693 3443.495 -190.592 - - -198.094 0.431 ratio:0.93,dipole:0.104359,distance:-0.462661,ads_E:-5.77067
5 Cu54N ratio:1.25,dipole:0.908,distance:3.014,ads_E:-0.162 3445.491 -190.592 - - -198.315 0.356 ratio:0.93,dipole:-0.001,distance:-0.350,ads_E:-4.156
6 Cu54O ratio:1.250,dipole:3.446,distance:3.499,ads_E:-0.537 3447.483 -190.592 - - -197.510 0.473 ratio:0.930,dipole:-0.058,distance:0.015,ads_E:-4.909
7 Cu54F ratio:1.300,dipole:7.369,distance:4.635,ads_E:-1.125 3450.482 -190.592 - - -195.280 0.677 ratio:0.930,dipole:0.015,distance:0.447,ads_E:-3.637
8 Cu54Ar ratio:1.1,dipole:0.008,distance:4.902,ads_E:-0.012 3471.432 -190.592 ratio:1.36,dipole:0.001,distance:8.429,ads_E:-0.005 ratio:1.5,dipole:0.000,distance:10.329,ads_E:-0.005 -190.598 -0.049 ratio:0.92,dipole:-0.596,distance:2.460,ads_E:0.278