ASE database

Displaying rows 1-8 out of 8
↓ ID ✕ Formula ✕ no_equ_15 ✕ no_equ_29 ✕ PBC ✕ no_equ_12 ✕ no_equ_25 ✕
1 Cu54Li ratio:1.7,dipole:-2.867,distance:10.224,ads_E:-0.066 - TTT ratio:1.3,dipole:-2.555,distance:5.454,ads_E:-0.165 -
2 BeCu54 ratio:1.45,dipole:-0.0224294,distance:5.95106,ads_E:-0.00714774 - TTT ratio:1.3,dipole:-0.18803,distance:4.29197,ads_E:-0.0630632 -
3 Cu54B ratio:1.900,dipole:-0.558,distance:9.794,ads_E:-0.180 - TTT ratio:1.350,dipole:-0.748,distance:4.025,ads_E:-0.303 -
4 Cu54C ratio:1.45,dipole:2.19263,distance:4.95146,ads_E:-0.182345 - TTT ratio:1.3,dipole:2.30687,distance:3.38969,ads_E:-0.486531 -
5 Cu54N ratio:1.4,dipole:-0.095,distance:4.680,ads_E:-0.016 - TTT ratio:1.3,dipole:0.575,distance:3.539,ads_E:-0.068 -
6 Cu54O ratio:1.900,dipole:6.642,distance:10.576,ads_E:-0.174 - TTT ratio:1.310,dipole:3.768,distance:4.152,ads_E:-0.372 -
7 Cu54F ratio:1.900,dipole:13.468,distance:11.427,ads_E:-0.666 - TTT ratio:1.450,dipole:8.949,distance:6.333,ads_E:-0.889 -
8 Cu54Ar ratio:1.18,dipole:0.006,distance:5.987,ads_E:-0.007 ratio:1.46,dipole:0.000,distance:9.786,ads_E:-0.005 TTT ratio:1.12,dipole:0.009,distance:5.173,ads_E:-0.010 ratio:1.38,dipole:0.000,distance:8.701,ads_E:-0.005