ASE database

Displaying rows 1-8 out of 8
↓ ID ✕ Formula ✕ Age ✕ no_equ_4 ✕ PBC ✕ no_equ_27 ✕ ads_E ✕ no_equ_2 ✕ no_equ_9 ✕ ads_site ✕ slab_E ✕ no_equ_25 ✕
1 Cu54Li 13M ratio:1,dipole:-2.353,distance:1.877,ads_E:-2.141 TTT - -2.222 ratio:0.93,dipole:-1.125,distance:1.042,ads_E:-1.567 ratio:1.15,dipole:-3.511,distance:3.666,ads_E:-0.744 f -190.592 -
2 BeCu54 13M ratio:1,dipole:0.00345513,distance:0.973808,ads_E:-2.95616 TTT - -2.934 ratio:0.93,dipole:0.340153,distance:0.19957,ads_E:-2.58415 ratio:1.16,dipole:-0.39644,distance:2.7435,ads_E:-0.772653 f -190.592 -
3 Cu54B 13M ratio:1.000,dipole:0.557,distance:0.353,ads_E:-5.662 TTT - -5.472 ratio:0.930,dipole:0.209,distance:-0.381,ads_E:-5.180 ratio:1.160,dipole:0.981,distance:2.032,ads_E:-3.278 f -190.592 -
4 Cu54C 13M ratio:1,dipole:0.52283,distance:0.266163,ads_E:-6.42427 TTT - -6.254 ratio:0.93,dipole:0.104359,distance:-0.462661,ads_E:-5.77067 ratio:1.16,dipole:1.37647,distance:1.93205,ads_E:-3.75037 f -190.592 -
5 Cu54N 13M ratio:1,dipole:0.368,distance:0.386,ads_E:-4.725 TTT - -4.599 ratio:0.93,dipole:-0.001,distance:-0.350,ads_E:-4.156 ratio:1.16,dipole:1.554,distance:2.068,ads_E:-1.933 f -190.592 -
6 Cu54O 13M ratio:1.000,dipole:0.486,distance:0.778,ads_E:-5.406 TTT - -5.385 ratio:0.930,dipole:-0.058,distance:0.015,ads_E:-4.909 ratio:1.160,dipole:2.453,distance:2.519,ads_E:-1.842 f -190.592 -
7 Cu54F 13M ratio:1.000,dipole:0.693,distance:1.239,ads_E:-4.335 TTT - -4.264 ratio:0.930,dipole:0.015,distance:0.447,ads_E:-3.637 ratio:1.160,dipole:5.403,distance:3.050,ads_E:-2.006 f -190.592 -
8 Cu54Ar 13M ratio:0.96,dipole:-0.291,distance:3.002,ads_E:0.057 TTT ratio:1.42,dipole:0.000,distance:9.243,ads_E:-0.005 0.020 ratio:0.92,dipole:-0.596,distance:2.460,ads_E:0.278 ratio:1.06,dipole:-0.003,distance:4.359,ads_E:-0.016 f -190.592 ratio:1.38,dipole:0.000,distance:8.701,ads_E:-0.005