ASE database

Displaying rows 1-25 out of 594
↓ ID ✕ Formula ✕ Magnetic moment ✕ slab_E ✕ Charge ✕ Maximum stress ✕ no_equ_4 ✕ Dipole_val ✕ no_equ_26 ✕ Mass ✕ no_equ_18 ✕ no_equ_25 ✕ no_equ_20 ✕ no_equ_2 ✕ no_equ_29 ✕
1 Cu54Li 0.000 -190.592 0.000 0.009 ratio:1,dipole:-2.353,distance:1.877,ads_E:-2.141 -2.989 - 3438.424 - - - ratio:0.93,dipole:-1.125,distance:1.042,ads_E:-1.567 -
2 BeCu54 -0.000 -190.592 0.000 0.008 ratio:1,dipole:0.00345513,distance:0.973808,ads_E:-2.95616 -0.069 - 3440.496 ratio:1.6,dipole:-0.00466727,distance:7.61014,ads_E:-0.0017761 - - ratio:0.93,dipole:0.340153,distance:0.19957,ads_E:-2.58415 -
3 Cu54B 0.000 -190.592 0.000 0.008 ratio:1.000,dipole:0.557,distance:0.353,ads_E:-5.662 0.558 - 3442.294 - - - ratio:0.930,dipole:0.209,distance:-0.381,ads_E:-5.180 -
4 Cu54C -0.000 -190.592 0.000 0.008 ratio:1,dipole:0.52283,distance:0.266163,ads_E:-6.42427 0.431 - 3443.495 ratio:1.6,dipole:3.20521,distance:6.61329,ads_E:-0.0862335 - ratio:2.1,dipole:5.51535,distance:11.7191,ads_E:-0.0591715 ratio:0.93,dipole:0.104359,distance:-0.462661,ads_E:-5.77067 -
5 Cu54N -0.000 -190.592 0.000 0.007 ratio:1,dipole:0.368,distance:0.386,ads_E:-4.725 0.356 - 3445.491 ratio:1.55,dipole:0.009,distance:6.168,ads_E:-0.002 - - ratio:0.93,dipole:-0.001,distance:-0.350,ads_E:-4.156 -
6 Cu54O 0.000 -190.592 0.000 0.009 ratio:1.000,dipole:0.486,distance:0.778,ads_E:-5.406 0.473 - 3447.483 - - - ratio:0.930,dipole:-0.058,distance:0.015,ads_E:-4.909 -
7 Cu54F -0.000 -190.592 0.000 0.009 ratio:1.000,dipole:0.693,distance:1.239,ads_E:-4.335 0.677 - 3450.482 - - - ratio:0.930,dipole:0.015,distance:0.447,ads_E:-3.637 -
8 Cu54Ar -0.000 -190.592 0.000 0.009 ratio:0.96,dipole:-0.291,distance:3.002,ads_E:0.057 -0.049 ratio:1.4,dipole:0.000,distance:8.972,ads_E:-0.005 3471.432 ratio:1.24,dipole:0.002,distance:6.801,ads_E:-0.005 ratio:1.38,dipole:0.000,distance:8.701,ads_E:-0.005 ratio:1.28,dipole:0.001,distance:7.344,ads_E:-0.005 ratio:0.92,dipole:-0.596,distance:2.460,ads_E:0.278 ratio:1.46,dipole:0.000,distance:9.786,ads_E:-0.005