ASE database

Displaying rows 1-8 out of 8

↓ ID ✕	Formula ✕	no_equ_5 ✕	no_equ_3 ✕
1	Cu₅₄Li	ratio:1.03,dipole:-2.924,distance:2.235,ads_E:-2.040	ratio:0.96,dipole:-1.624,distance:1.400,ads_E:-1.949
2	BeCu₅₄	ratio:1.03,dipole:-0.173906,distance:1.30562,ads_E:-2.87935	ratio:0.96,dipole:0.234375,distance:0.531386,ads_E:-2.83237
3	Cu₅₄B	ratio:1.030,dipole:0.635,distance:0.668,ads_E:-5.579	ratio:0.960,dipole:0.398,distance:-0.066,ads_E:-5.490
4	Cu₅₄C	ratio:1.03,dipole:0.653681,distance:0.578516,ads_E:-6.33223	ratio:0.96,dipole:0.291413,distance:-0.150308,ads_E:-6.20762
5	Cu₅₄N	ratio:1.03,dipole:0.566,distance:0.701,ads_E:-4.655	ratio:0.96,dipole:0.160,distance:-0.035,ads_E:-4.570
6	Cu₅₄O	ratio:1.030,dipole:0.754,distance:1.104,ads_E:-5.283	ratio:0.960,dipole:0.131,distance:0.342,ads_E:-5.226
7	Cu₅₄F	ratio:1.030,dipole:1.159,distance:1.579,ads_E:-4.212	ratio:0.960,dipole:0.260,distance:0.787,ads_E:-4.090
8	Cu₅₄Ar	ratio:0.98,dipole:-0.177,distance:3.274,ads_E:0.014	ratio:0.94,dipole:-0.431,distance:2.731,ads_E:0.139