ASE database

ID Formula no_equ_8 no_equ_29 no_equ_10 Age Number of atoms no_equ_25 plane_index no_equ_20 no_equ_2 no_equ_30 no_equ_26 Username
1 Cu54Li ratio:1.13,dipole:-3.714,distance:3.427,ads_E:-0.940 - ratio:1.17,dipole:-3.222,distance:3.904,ads_E:-0.582 13M 55 - 100 - ratio:0.93,dipole:-1.125,distance:1.042,ads_E:-1.567 - - hecc
2 BeCu54 ratio:1.13,dipole:-0.472991,distance:2.41168,ads_E:-1.3327 - ratio:1.2,dipole:-0.359907,distance:3.18592,ads_E:-0.372501 13M 55 - 100 - ratio:0.93,dipole:0.340153,distance:0.19957,ads_E:-2.58415 - - hecc
3 Cu54B ratio:1.130,dipole:0.870,distance:1.717,ads_E:-4.122 - ratio:1.200,dipole:0.935,distance:2.451,ads_E:-2.045 13M 55 - 100 - ratio:0.930,dipole:0.209,distance:-0.381,ads_E:-5.180 - - hecc
4 Cu54C ratio:1.13,dipole:1.19768,distance:1.61969,ads_E:-4.67472 - ratio:1.2,dipole:1.54212,distance:2.34852,ads_E:-2.29339 13M 55 - 100 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 - - hecc
5 Cu54N ratio:1.13,dipole:1.347,distance:1.752,ads_E:-2.917 - ratio:1.2,dipole:1.380,distance:2.488,ads_E:-0.433 13M 55 - 100 - ratio:0.93,dipole:-0.001,distance:-0.350,ads_E:-4.156 - - hecc
6 Cu54O ratio:1.130,dipole:1.922,distance:2.193,ads_E:-2.973 - ratio:1.200,dipole:3.021,distance:2.955,ads_E:-0.945 13M 55 - 100 - ratio:0.930,dipole:-0.058,distance:0.015,ads_E:-4.909 - - hecc
7 Cu54F ratio:1.130,dipole:4.250,distance:2.711,ads_E:-2.537 - ratio:1.250,dipole:6.761,distance:4.069,ads_E:-1.287 13M 55 - 100 - ratio:0.930,dipole:0.015,distance:0.447,ads_E:-3.637 - - hecc
8 Cu54Ar ratio:1.04,dipole:-0.018,distance:4.088,ads_E:-0.017 ratio:1.46,dipole:0.000,distance:9.786,ads_E:-0.005 ratio:1.08,dipole:0.005,distance:4.631,ads_E:-0.014 13M 55 ratio:1.38,dipole:0.000,distance:8.701,ads_E:-0.005 100 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:1.48,dipole:0.000,distance:10.057,ads_E:-0.005 ratio:1.4,dipole:0.000,distance:8.972,ads_E:-0.005 hecc