ASE database

Displaying rows 1-8 out of 8
↓ ID ✕ Formula ✕ no_equ_11 ✕ no_equ_14 ✕ Dipole_val ✕ plane_index ✕ Number of atoms ✕ PBC ✕
1 Cu54Li ratio:1.25,dipole:-2.667,distance:4.858,ads_E:-0.244 ratio:1.5,dipole:-2.645,distance:7.839,ads_E:-0.084 -2.989 100 55 TTT
2 BeCu54 ratio:1.25,dipole:-0.291055,distance:3.73895,ads_E:-0.152313 ratio:1.4,dipole:-0.047443,distance:5.39803,ads_E:-0.0134448 -0.069 100 55 TTT
3 Cu54B ratio:1.250,dipole:-0.107,distance:2.976,ads_E:-0.989 ratio:1.500,dipole:-0.465,distance:5.598,ads_E:-0.193 0.558 100 55 TTT
4 Cu54C ratio:1.25,dipole:1.94527,distance:2.86911,ads_E:-0.945693 ratio:1.4,dipole:2.63066,distance:4.43087,ads_E:-0.175371 0.431 100 55 TTT
5 Cu54N ratio:1.25,dipole:0.908,distance:3.014,ads_E:-0.162 ratio:1.36,dipole:-0.067,distance:4.254,ads_E:-0.030 0.356 100 55 TTT
6 Cu54O ratio:1.250,dipole:3.446,distance:3.499,ads_E:-0.537 ratio:1.550,dipole:3.996,distance:6.765,ads_E:-0.507 0.473 100 55 TTT
7 Cu54F ratio:1.300,dipole:7.369,distance:4.635,ads_E:-1.125 ratio:1.600,dipole:10.431,distance:8.031,ads_E:-0.769 0.677 100 55 TTT
8 Cu54Ar ratio:1.1,dipole:0.008,distance:4.902,ads_E:-0.012 ratio:1.16,dipole:0.006,distance:5.716,ads_E:-0.008 -0.049 100 55 TTT