ASE database

Displaying rows 1-25 out of 594
↓ ID ✕ Formula ✕ ads_site ✕ no_equ_21 ✕ no_equ_3 ✕ no_equ_1 ✕
1 Cu54Li f - ratio:0.96,dipole:-1.624,distance:1.400,ads_E:-1.949 ratio:0.9,dipole:-0.645,distance:0.684,ads_E:-1.046
2 BeCu54 f - ratio:0.96,dipole:0.234375,distance:0.531386,ads_E:-2.83237 ratio:0.9,dipole:0.302883,distance:-0.132247,ads_E:-2.36046
3 Cu54B f - ratio:0.960,dipole:0.398,distance:-0.066,ads_E:-5.490 ratio:0.900,dipole:-0.012,distance:-0.696,ads_E:-4.781
4 Cu54C f ratio:2.2,dipole:7.59718,distance:12.7603,ads_E:-0.0579928 ratio:0.96,dipole:0.291413,distance:-0.150308,ads_E:-6.20762 ratio:0.9,dipole:-0.0331232,distance:-0.775014,ads_E:-5.11493
5 Cu54N f - ratio:0.96,dipole:0.160,distance:-0.035,ads_E:-4.570 ratio:0.9,dipole:-0.149,distance:-0.666,ads_E:-3.448
6 Cu54O f - ratio:0.960,dipole:0.131,distance:0.342,ads_E:-5.226 ratio:0.900,dipole:-0.175,distance:-0.311,ads_E:-4.372
7 Cu54F f - ratio:0.960,dipole:0.260,distance:0.787,ads_E:-4.090 ratio:0.900,dipole:-0.137,distance:0.107,ads_E:-3.084
8 Cu54Ar f ratio:1.3,dipole:0.002,distance:7.615,ads_E:-0.005 ratio:0.94,dipole:-0.431,distance:2.731,ads_E:0.139 ratio:0.9,dipole:-0.757,distance:2.324,ads_E:0.500