ASE database

ID Formula no_equ_2 no_equ_5 no_equ_23
1 Cu54Li ratio:0.93,dipole:-1.125,distance:1.042,ads_E:-1.567 ratio:1.03,dipole:-2.924,distance:2.235,ads_E:-2.040 -
2 BeCu54 ratio:0.93,dipole:0.340153,distance:0.19957,ads_E:-2.58415 ratio:1.03,dipole:-0.173906,distance:1.30562,ads_E:-2.87935 -
3 Cu54B ratio:0.930,dipole:0.209,distance:-0.381,ads_E:-5.180 ratio:1.030,dipole:0.635,distance:0.668,ads_E:-5.579 -
4 Cu54C ratio:0.93,dipole:0.104359,distance:-0.462661,ads_E:-5.77067 ratio:1.03,dipole:0.653681,distance:0.578516,ads_E:-6.33223 -
5 Cu54N ratio:0.93,dipole:-0.001,distance:-0.350,ads_E:-4.156 ratio:1.03,dipole:0.566,distance:0.701,ads_E:-4.655 -
6 Cu54O ratio:0.930,dipole:-0.058,distance:0.015,ads_E:-4.909 ratio:1.030,dipole:0.754,distance:1.104,ads_E:-5.283 -
7 Cu54F ratio:0.930,dipole:0.015,distance:0.447,ads_E:-3.637 ratio:1.030,dipole:1.159,distance:1.579,ads_E:-4.212 -
8 Cu54Ar ratio:0.92,dipole:-0.596,distance:2.460,ads_E:0.278 ratio:0.98,dipole:-0.177,distance:3.274,ads_E:0.014 ratio:1.34,dipole:0.001,distance:8.158,ads_E:-0.005