ASE database

Displaying rows 1-8 out of 8
↓ ID ✕ Formula ✕ no_equ_22 ✕ no_equ_10 ✕ no_equ_18 ✕ no_equ_3 ✕ no_equ_11 ✕ PBC ✕
1 Cu54Li - ratio:1.17,dipole:-3.222,distance:3.904,ads_E:-0.582 - ratio:0.96,dipole:-1.624,distance:1.400,ads_E:-1.949 ratio:1.25,dipole:-2.667,distance:4.858,ads_E:-0.244 TTT
2 BeCu54 - ratio:1.2,dipole:-0.359907,distance:3.18592,ads_E:-0.372501 ratio:1.6,dipole:-0.00466727,distance:7.61014,ads_E:-0.0017761 ratio:0.96,dipole:0.234375,distance:0.531386,ads_E:-2.83237 ratio:1.25,dipole:-0.291055,distance:3.73895,ads_E:-0.152313 TTT
3 Cu54B - ratio:1.200,dipole:0.935,distance:2.451,ads_E:-2.045 - ratio:0.960,dipole:0.398,distance:-0.066,ads_E:-5.490 ratio:1.250,dipole:-0.107,distance:2.976,ads_E:-0.989 TTT
4 Cu54C - ratio:1.2,dipole:1.54212,distance:2.34852,ads_E:-2.29339 ratio:1.6,dipole:3.20521,distance:6.61329,ads_E:-0.0862335 ratio:0.96,dipole:0.291413,distance:-0.150308,ads_E:-6.20762 ratio:1.25,dipole:1.94527,distance:2.86911,ads_E:-0.945693 TTT
5 Cu54N - ratio:1.2,dipole:1.380,distance:2.488,ads_E:-0.433 ratio:1.55,dipole:0.009,distance:6.168,ads_E:-0.002 ratio:0.96,dipole:0.160,distance:-0.035,ads_E:-4.570 ratio:1.25,dipole:0.908,distance:3.014,ads_E:-0.162 TTT
6 Cu54O - ratio:1.200,dipole:3.021,distance:2.955,ads_E:-0.945 - ratio:0.960,dipole:0.131,distance:0.342,ads_E:-5.226 ratio:1.250,dipole:3.446,distance:3.499,ads_E:-0.537 TTT
7 Cu54F - ratio:1.250,dipole:6.761,distance:4.069,ads_E:-1.287 - ratio:0.960,dipole:0.260,distance:0.787,ads_E:-4.090 ratio:1.300,dipole:7.369,distance:4.635,ads_E:-1.125 TTT
8 Cu54Ar ratio:1.32,dipole:0.002,distance:7.887,ads_E:-0.005 ratio:1.08,dipole:0.005,distance:4.631,ads_E:-0.014 ratio:1.24,dipole:0.002,distance:6.801,ads_E:-0.005 ratio:0.94,dipole:-0.431,distance:2.731,ads_E:0.139 ratio:1.1,dipole:0.008,distance:4.902,ads_E:-0.012 TTT