ASE database

ID Formula plane_index no_equ_24 no_equ_16 Energy no_equ_29
1 Cu54Li 100 - ratio:1.9,dipole:-3.128,distance:12.609,ads_E:-0.058 -193.113 -
2 BeCu54 100 - ratio:1.5,dipole:-0.0113499,distance:6.50408,ads_E:-0.00416696 -193.566 -
3 Cu54B 100 - ratio:2.000,dipole:-1.008,distance:10.843,ads_E:-0.007 -196.413 -
4 Cu54C 100 - ratio:1.51,dipole:2.9677,distance:5.57616,ads_E:-0.10513 -198.094 -
5 Cu54N 100 - ratio:1.45,dipole:0.007,distance:5.116,ads_E:-0.007 -198.315 -
6 Cu54O 100 - ratio:2.100,dipole:4.187,distance:12.753,ads_E:-0.168 -197.510 -
7 Cu54F 100 - - -195.280 -
8 Cu54Ar 100 ratio:1.36,dipole:0.001,distance:8.429,ads_E:-0.005 ratio:1.2,dipole:0.005,distance:6.259,ads_E:-0.006 -190.598 ratio:1.46,dipole:0.000,distance:9.786,ads_E:-0.005