ASE database

ID Formula Charge str_E plane_index no_equ_16 no_equ_27
1 Cu54Li 0.000 -193.113 100 ratio:1.9,dipole:-3.128,distance:12.609,ads_E:-0.058 -
2 BeCu54 0.000 -193.566 100 ratio:1.5,dipole:-0.0113499,distance:6.50408,ads_E:-0.00416696 -
3 Cu54B 0.000 -196.413 100 ratio:2.000,dipole:-1.008,distance:10.843,ads_E:-0.007 -
4 Cu54C 0.000 -198.094 100 ratio:1.51,dipole:2.9677,distance:5.57616,ads_E:-0.10513 -
5 Cu54N 0.000 -198.315 100 ratio:1.45,dipole:0.007,distance:5.116,ads_E:-0.007 -
6 Cu54O 0.000 -197.510 100 ratio:2.100,dipole:4.187,distance:12.753,ads_E:-0.168 -
7 Cu54F 0.000 -195.280 100 - -
8 Cu54Ar 0.000 -190.598 100 ratio:1.2,dipole:0.005,distance:6.259,ads_E:-0.006 ratio:1.42,dipole:0.000,distance:9.243,ads_E:-0.005