ASE database

ID Formula no_equ_12 str_E no_equ_31 no_equ_27
1 Cu54Li ratio:1.3,dipole:-2.555,distance:5.454,ads_E:-0.165 -193.113 - -
2 BeCu54 ratio:1.3,dipole:-0.18803,distance:4.29197,ads_E:-0.0630632 -193.566 - -
3 Cu54B ratio:1.350,dipole:-0.748,distance:4.025,ads_E:-0.303 -196.413 - -
4 Cu54C ratio:1.3,dipole:2.30687,distance:3.38969,ads_E:-0.486531 -198.094 - -
5 Cu54N ratio:1.3,dipole:0.575,distance:3.539,ads_E:-0.068 -198.315 - -
6 Cu54O ratio:1.310,dipole:3.768,distance:4.152,ads_E:-0.372 -197.510 - -
7 Cu54F ratio:1.450,dipole:8.949,distance:6.333,ads_E:-0.889 -195.280 - -
8 Cu54Ar ratio:1.12,dipole:0.009,distance:5.173,ads_E:-0.010 -190.598 ratio:1.5,dipole:0.000,distance:10.329,ads_E:-0.005 ratio:1.42,dipole:0.000,distance:9.243,ads_E:-0.005