ASE database

ID Formula no_equ_23 no_equ_27 no_equ_16 Maximum stress no_equ_22
1 Cu54Li - - ratio:1.9,dipole:-3.128,distance:12.609,ads_E:-0.058 0.009 -
2 BeCu54 - - ratio:1.5,dipole:-0.0113499,distance:6.50408,ads_E:-0.00416696 0.008 -
3 Cu54B - - ratio:2.000,dipole:-1.008,distance:10.843,ads_E:-0.007 0.008 -
4 Cu54C - - ratio:1.51,dipole:2.9677,distance:5.57616,ads_E:-0.10513 0.008 -
5 Cu54N - - ratio:1.45,dipole:0.007,distance:5.116,ads_E:-0.007 0.007 -
6 Cu54O - - ratio:2.100,dipole:4.187,distance:12.753,ads_E:-0.168 0.009 -
7 Cu54F - - - 0.009 -
8 Cu54Ar ratio:1.34,dipole:0.001,distance:8.158,ads_E:-0.005 ratio:1.42,dipole:0.000,distance:9.243,ads_E:-0.005 ratio:1.2,dipole:0.005,distance:6.259,ads_E:-0.006 0.009 ratio:1.32,dipole:0.002,distance:7.887,ads_E:-0.005