ASE database

ID Formula no_equ_26 no_equ_24 ads_site no_equ_11 no_equ_1
1 Cu54Li - - f ratio:1.25,dipole:-2.667,distance:4.858,ads_E:-0.244 ratio:0.9,dipole:-0.645,distance:0.684,ads_E:-1.046
2 BeCu54 - - f ratio:1.25,dipole:-0.291055,distance:3.73895,ads_E:-0.152313 ratio:0.9,dipole:0.302883,distance:-0.132247,ads_E:-2.36046
3 Cu54B - - f ratio:1.250,dipole:-0.107,distance:2.976,ads_E:-0.989 ratio:0.900,dipole:-0.012,distance:-0.696,ads_E:-4.781
4 Cu54C - - f ratio:1.25,dipole:1.94527,distance:2.86911,ads_E:-0.945693 ratio:0.9,dipole:-0.0331232,distance:-0.775014,ads_E:-5.11493
5 Cu54N - - f ratio:1.25,dipole:0.908,distance:3.014,ads_E:-0.162 ratio:0.9,dipole:-0.149,distance:-0.666,ads_E:-3.448
6 Cu54O - - f ratio:1.250,dipole:3.446,distance:3.499,ads_E:-0.537 ratio:0.900,dipole:-0.175,distance:-0.311,ads_E:-4.372
7 Cu54F - - f ratio:1.300,dipole:7.369,distance:4.635,ads_E:-1.125 ratio:0.900,dipole:-0.137,distance:0.107,ads_E:-3.084
8 Cu54Ar ratio:1.4,dipole:0.000,distance:8.972,ads_E:-0.005 ratio:1.36,dipole:0.001,distance:8.429,ads_E:-0.005 f ratio:1.1,dipole:0.008,distance:4.902,ads_E:-0.012 ratio:0.9,dipole:-0.757,distance:2.324,ads_E:0.500