ASE database

Displaying rows 1-8 out of 8
↓ ID ✕ Formula ✕ no_equ_22 ✕ no_equ_29 ✕ no_equ_21 ✕ no_equ_26 ✕ no_equ_25 ✕ Charge ✕ no_equ_16 ✕ no_equ_12 ✕
1 Cu54Li - - - - - 0.000 ratio:1.9,dipole:-3.128,distance:12.609,ads_E:-0.058 ratio:1.3,dipole:-2.555,distance:5.454,ads_E:-0.165
2 BeCu54 - - - - - 0.000 ratio:1.5,dipole:-0.0113499,distance:6.50408,ads_E:-0.00416696 ratio:1.3,dipole:-0.18803,distance:4.29197,ads_E:-0.0630632
3 Cu54B - - - - - 0.000 ratio:2.000,dipole:-1.008,distance:10.843,ads_E:-0.007 ratio:1.350,dipole:-0.748,distance:4.025,ads_E:-0.303
4 Cu54C - - ratio:2.2,dipole:7.59718,distance:12.7603,ads_E:-0.0579928 - - 0.000 ratio:1.51,dipole:2.9677,distance:5.57616,ads_E:-0.10513 ratio:1.3,dipole:2.30687,distance:3.38969,ads_E:-0.486531
5 Cu54N - - - - - 0.000 ratio:1.45,dipole:0.007,distance:5.116,ads_E:-0.007 ratio:1.3,dipole:0.575,distance:3.539,ads_E:-0.068
6 Cu54O - - - - - 0.000 ratio:2.100,dipole:4.187,distance:12.753,ads_E:-0.168 ratio:1.310,dipole:3.768,distance:4.152,ads_E:-0.372
7 Cu54F - - - - - 0.000 - ratio:1.450,dipole:8.949,distance:6.333,ads_E:-0.889
8 Cu54Ar ratio:1.32,dipole:0.002,distance:7.887,ads_E:-0.005 ratio:1.46,dipole:0.000,distance:9.786,ads_E:-0.005 ratio:1.3,dipole:0.002,distance:7.615,ads_E:-0.005 ratio:1.4,dipole:0.000,distance:8.972,ads_E:-0.005 ratio:1.38,dipole:0.000,distance:8.701,ads_E:-0.005 0.000 ratio:1.2,dipole:0.005,distance:6.259,ads_E:-0.006 ratio:1.12,dipole:0.009,distance:5.173,ads_E:-0.010