ASE database

Displaying rows 1-25 out of 594
↓ ID ✕ Formula ✕ Number of atoms ✕ no_equ_13 ✕ no_equ_10 ✕ no_equ_27 ✕ no_equ_28 ✕ PBC ✕ no_equ_22 ✕ plane_index ✕ no_equ_26 ✕
1 Cu54Li 55 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 - - TTT - 100 -
2 BeCu54 55 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 - - TTT - 100 -
3 Cu54B 55 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 - - TTT - 100 -
4 Cu54C 55 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 - - TTT - 100 -
5 Cu54N 55 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 - - TTT - 100 -
6 Cu54O 55 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 - - TTT - 100 -
7 Cu54F 55 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 - - TTT - 100 -
8 Cu54Ar 55 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:1.42,dipole:0.000,distance:9.243,ads_E:-0.005 ratio:1.44,dipole:0.000,distance:9.515,ads_E:-0.005 TTT ratio:1.32,dipole:0.002,distance:7.887,ads_E:-0.005 100 ratio:1.4,dipole:0.000,distance:8.972,ads_E:-0.005