ASE database

ID Formula Volume no_equ_1 slab_E
1 Cu54Li 1730.483 ratio:0.9,dipole:-0.645,distance:0.684,ads_E:-1.046 -190.592
2 BeCu54 1730.483 ratio:0.9,dipole:0.302883,distance:-0.132247,ads_E:-2.36046 -190.592
3 Cu54B 1730.483 ratio:0.900,dipole:-0.012,distance:-0.696,ads_E:-4.781 -190.592
4 Cu54C 1730.483 ratio:0.9,dipole:-0.0331232,distance:-0.775014,ads_E:-5.11493 -190.592
5 Cu54N 1730.483 ratio:0.9,dipole:-0.149,distance:-0.666,ads_E:-3.448 -190.592
6 Cu54O 1730.483 ratio:0.900,dipole:-0.175,distance:-0.311,ads_E:-4.372 -190.592
7 Cu54F 1730.483 ratio:0.900,dipole:-0.137,distance:0.107,ads_E:-3.084 -190.592
8 Cu54Ar 1730.483 ratio:0.9,dipole:-0.757,distance:2.324,ads_E:0.500 -190.592