ASE database

Displaying rows 1-8 out of 8
↓ ID ✕ Formula ✕ no_equ_13 ✕ no_equ_10 ✕ no_equ_2 ✕ Number of atoms ✕ Dipole_val ✕
1 Cu54Li ratio:1.35,dipole:-2.533,distance:6.051,ads_E:-0.126 ratio:1.17,dipole:-3.222,distance:3.904,ads_E:-0.582 ratio:0.93,dipole:-1.125,distance:1.042,ads_E:-1.567 55 -2.989
2 BeCu54 ratio:1.35,dipole:-0.0991408,distance:4.845,ads_E:-0.0276465 ratio:1.2,dipole:-0.359907,distance:3.18592,ads_E:-0.372501 ratio:0.93,dipole:0.340153,distance:0.19957,ads_E:-2.58415 55 -0.069
3 Cu54B ratio:1.400,dipole:-0.694,distance:4.626,ads_E:-0.236 ratio:1.200,dipole:0.935,distance:2.451,ads_E:-2.045 ratio:0.930,dipole:0.209,distance:-0.381,ads_E:-5.180 55 0.558
4 Cu54C ratio:1.35,dipole:2.50975,distance:3.91028,ads_E:-0.271632 ratio:1.2,dipole:1.54212,distance:2.34852,ads_E:-2.29339 ratio:0.93,dipole:0.104359,distance:-0.462661,ads_E:-5.77067 55 0.431
5 Cu54N ratio:1.33,dipole:0.416,distance:3.855,ads_E:-0.042 ratio:1.2,dipole:1.380,distance:2.488,ads_E:-0.433 ratio:0.93,dipole:-0.001,distance:-0.350,ads_E:-4.156 55 0.356
6 Cu54O ratio:1.350,dipole:3.982,distance:4.588,ads_E:-0.321 ratio:1.200,dipole:3.021,distance:2.955,ads_E:-0.945 ratio:0.930,dipole:-0.058,distance:0.015,ads_E:-4.909 55 0.473
7 Cu54F ratio:1.550,dipole:9.933,distance:7.465,ads_E:-0.801 ratio:1.250,dipole:6.761,distance:4.069,ads_E:-1.287 ratio:0.930,dipole:0.015,distance:0.447,ads_E:-3.637 55 0.677
8 Cu54Ar ratio:1.14,dipole:0.008,distance:5.445,ads_E:-0.009 ratio:1.08,dipole:0.005,distance:4.631,ads_E:-0.014 ratio:0.92,dipole:-0.596,distance:2.460,ads_E:0.278 55 -0.049