ASE database

Displaying rows 1-25 out of 594
↓ ID ✕ Formula ✕ atom_E ✕ no_equ_10 ✕ Dipole_val ✕ no_equ_19 ✕ no_equ_22 ✕ no_equ_2 ✕ Energy ✕
1 Cu54Li -0.299 ratio:1.17,dipole:-3.222,distance:3.904,ads_E:-0.582 -2.989 - - ratio:0.93,dipole:-1.125,distance:1.042,ads_E:-1.567 -193.113
2 BeCu54 -0.039 ratio:1.2,dipole:-0.359907,distance:3.18592,ads_E:-0.372501 -0.069 - - ratio:0.93,dipole:0.340153,distance:0.19957,ads_E:-2.58415 -193.566
3 Cu54B -0.349 ratio:1.200,dipole:0.935,distance:2.451,ads_E:-2.045 0.558 - - ratio:0.930,dipole:0.209,distance:-0.381,ads_E:-5.180 -196.413
4 Cu54C -1.248 ratio:1.2,dipole:1.54212,distance:2.34852,ads_E:-2.29339 0.431 ratio:1.8,dipole:3.74248,distance:8.59558,ads_E:-0.0684837 - ratio:0.93,dipole:0.104359,distance:-0.462661,ads_E:-5.77067 -198.094
5 Cu54N -3.124 ratio:1.2,dipole:1.380,distance:2.488,ads_E:-0.433 0.356 ratio:1.6,dipole:0.009,distance:6.693,ads_E:-0.002 - ratio:0.93,dipole:-0.001,distance:-0.350,ads_E:-4.156 -198.315
6 Cu54O -1.533 ratio:1.200,dipole:3.021,distance:2.955,ads_E:-0.945 0.473 - - ratio:0.930,dipole:-0.058,distance:0.015,ads_E:-4.909 -197.510
7 Cu54F -0.424 ratio:1.250,dipole:6.761,distance:4.069,ads_E:-1.287 0.677 - - ratio:0.930,dipole:0.015,distance:0.447,ads_E:-3.637 -195.280
8 Cu54Ar -0.025 ratio:1.08,dipole:0.005,distance:4.631,ads_E:-0.014 -0.049 ratio:1.26,dipole:0.002,distance:7.073,ads_E:-0.005 ratio:1.32,dipole:0.002,distance:7.887,ads_E:-0.005 ratio:0.92,dipole:-0.596,distance:2.460,ads_E:0.278 -190.598