ASE database

Displaying rows 1-25 out of 594
↓ ID ✕ Formula ✕ distance ✕ no_equ_2 ✕ no_equ_3 ✕
1 Cu54Li 1.865 ratio:0.93,dipole:-1.125,distance:1.042,ads_E:-1.567 ratio:0.96,dipole:-1.624,distance:1.400,ads_E:-1.949
2 BeCu54 1.012 ratio:0.93,dipole:0.340153,distance:0.19957,ads_E:-2.58415 ratio:0.96,dipole:0.234375,distance:0.531386,ads_E:-2.83237
3 Cu54B 0.409 ratio:0.930,dipole:0.209,distance:-0.381,ads_E:-5.180 ratio:0.960,dipole:0.398,distance:-0.066,ads_E:-5.490
4 Cu54C 0.260 ratio:0.93,dipole:0.104359,distance:-0.462661,ads_E:-5.77067 ratio:0.96,dipole:0.291413,distance:-0.150308,ads_E:-6.20762
5 Cu54N 0.399 ratio:0.93,dipole:-0.001,distance:-0.350,ads_E:-4.156 ratio:0.96,dipole:0.160,distance:-0.035,ads_E:-4.570
6 Cu54O 0.772 ratio:0.930,dipole:-0.058,distance:0.015,ads_E:-4.909 ratio:0.960,dipole:0.131,distance:0.342,ads_E:-5.226
7 Cu54F 1.238 ratio:0.930,dipole:0.015,distance:0.447,ads_E:-3.637 ratio:0.960,dipole:0.260,distance:0.787,ads_E:-4.090
8 Cu54Ar 3.861 ratio:0.92,dipole:-0.596,distance:2.460,ads_E:0.278 ratio:0.94,dipole:-0.431,distance:2.731,ads_E:0.139