ASE database

Displaying rows 1-8 out of 8
↓ ID ✕ Formula ✕ no_equ_10 ✕ no_equ_22 ✕ Charge ✕ PBC ✕ plane_index ✕ no_equ_14 ✕
1 Cu54Li ratio:1.17,dipole:-3.222,distance:3.904,ads_E:-0.582 - 0.000 TTT 100 ratio:1.5,dipole:-2.645,distance:7.839,ads_E:-0.084
2 BeCu54 ratio:1.2,dipole:-0.359907,distance:3.18592,ads_E:-0.372501 - 0.000 TTT 100 ratio:1.4,dipole:-0.047443,distance:5.39803,ads_E:-0.0134448
3 Cu54B ratio:1.200,dipole:0.935,distance:2.451,ads_E:-2.045 - 0.000 TTT 100 ratio:1.500,dipole:-0.465,distance:5.598,ads_E:-0.193
4 Cu54C ratio:1.2,dipole:1.54212,distance:2.34852,ads_E:-2.29339 - 0.000 TTT 100 ratio:1.4,dipole:2.63066,distance:4.43087,ads_E:-0.175371
5 Cu54N ratio:1.2,dipole:1.380,distance:2.488,ads_E:-0.433 - 0.000 TTT 100 ratio:1.36,dipole:-0.067,distance:4.254,ads_E:-0.030
6 Cu54O ratio:1.200,dipole:3.021,distance:2.955,ads_E:-0.945 - 0.000 TTT 100 ratio:1.550,dipole:3.996,distance:6.765,ads_E:-0.507
7 Cu54F ratio:1.250,dipole:6.761,distance:4.069,ads_E:-1.287 - 0.000 TTT 100 ratio:1.600,dipole:10.431,distance:8.031,ads_E:-0.769
8 Cu54Ar ratio:1.08,dipole:0.005,distance:4.631,ads_E:-0.014 ratio:1.32,dipole:0.002,distance:7.887,ads_E:-0.005 0.000 TTT 100 ratio:1.16,dipole:0.006,distance:5.716,ads_E:-0.008