ASE database

Displaying rows 1-8 out of 8
↓ ID ✕ Formula ✕ no_equ_10 ✕ no_equ_2 ✕ distance ✕ PBC ✕ no_equ_9 ✕
1 Cu54Li 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 1.865 TTT ratio:1.15,dipole:-3.511,distance:3.666,ads_E:-0.744
2 BeCu54 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 1.012 TTT ratio:1.16,dipole:-0.39644,distance:2.7435,ads_E:-0.772653
3 Cu54B 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 0.409 TTT ratio:1.160,dipole:0.981,distance:2.032,ads_E:-3.278
4 Cu54C 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 0.260 TTT ratio:1.16,dipole:1.37647,distance:1.93205,ads_E:-3.75037
5 Cu54N 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 0.399 TTT ratio:1.16,dipole:1.554,distance:2.068,ads_E:-1.933
6 Cu54O 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 0.772 TTT ratio:1.160,dipole:2.453,distance:2.519,ads_E:-1.842
7 Cu54F 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 1.238 TTT ratio:1.160,dipole:5.403,distance:3.050,ads_E:-2.006
8 Cu54Ar 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 3.861 TTT ratio:1.06,dipole:-0.003,distance:4.359,ads_E:-0.016