ASE database

ID Formula slab_E no_equ_31 Age no_equ_20 no_equ_15 no_equ_24
1 Cu54Li -190.592 - 15M - ratio:1.7,dipole:-2.867,distance:10.224,ads_E:-0.066 -
2 BeCu54 -190.592 - 15M - ratio:1.45,dipole:-0.0224294,distance:5.95106,ads_E:-0.00714774 -
3 Cu54B -190.592 - 15M - ratio:1.900,dipole:-0.558,distance:9.794,ads_E:-0.180 -
4 Cu54C -190.592 - 15M ratio:2.1,dipole:5.51535,distance:11.7191,ads_E:-0.0591715 ratio:1.45,dipole:2.19263,distance:4.95146,ads_E:-0.182345 -
5 Cu54N -190.592 - 15M - ratio:1.4,dipole:-0.095,distance:4.680,ads_E:-0.016 -
6 Cu54O -190.592 - 15M - ratio:1.900,dipole:6.642,distance:10.576,ads_E:-0.174 -
7 Cu54F -190.592 - 15M - ratio:1.900,dipole:13.468,distance:11.427,ads_E:-0.666 -
8 Cu54Ar -190.592 ratio:1.5,dipole:0.000,distance:10.329,ads_E:-0.005 15M ratio:1.28,dipole:0.001,distance:7.344,ads_E:-0.005 ratio:1.18,dipole:0.006,distance:5.987,ads_E:-0.007 ratio:1.36,dipole:0.001,distance:8.429,ads_E:-0.005