ASE database

ID Formula no_equ_15 str_E no_equ_17
1 Cu54Li ratio:1.7,dipole:-2.867,distance:10.224,ads_E:-0.066 -193.113 -
2 BeCu54 ratio:1.45,dipole:-0.0224294,distance:5.95106,ads_E:-0.00714774 -193.566 ratio:1.55,dipole:-0.00631543,distance:7.10066,ads_E:-0.00261613
3 Cu54B ratio:1.900,dipole:-0.558,distance:9.794,ads_E:-0.180 -196.413 ratio:2.100,dipole:-0.833,distance:11.891,ads_E:-0.007
4 Cu54C ratio:1.45,dipole:2.19263,distance:4.95146,ads_E:-0.182345 -198.094 ratio:1.55,dipole:3.07149,distance:5.99264,ads_E:-0.095025
5 Cu54N ratio:1.4,dipole:-0.095,distance:4.680,ads_E:-0.016 -198.315 ratio:1.5,dipole:0.030,distance:5.736,ads_E:-0.004
6 Cu54O ratio:1.900,dipole:6.642,distance:10.576,ads_E:-0.174 -197.510 -
7 Cu54F ratio:1.900,dipole:13.468,distance:11.427,ads_E:-0.666 -195.280 -
8 Cu54Ar ratio:1.18,dipole:0.006,distance:5.987,ads_E:-0.007 -190.598 ratio:1.22,dipole:0.004,distance:6.530,ads_E:-0.006