ASE database

Displaying rows 1-8 out of 8

↓ ID ✕	Formula ✕	no_equ_3 ✕	no_equ_1 ✕	Username ✕
1	Cu₅₄Li	ratio:0.96,dipole:-1.624,distance:1.400,ads_E:-1.949	ratio:0.9,dipole:-0.645,distance:0.684,ads_E:-1.046	hecc
2	BeCu₅₄	ratio:0.96,dipole:0.234375,distance:0.531386,ads_E:-2.83237	ratio:0.9,dipole:0.302883,distance:-0.132247,ads_E:-2.36046	hecc
3	Cu₅₄B	ratio:0.960,dipole:0.398,distance:-0.066,ads_E:-5.490	ratio:0.900,dipole:-0.012,distance:-0.696,ads_E:-4.781	hecc
4	Cu₅₄C	ratio:0.96,dipole:0.291413,distance:-0.150308,ads_E:-6.20762	ratio:0.9,dipole:-0.0331232,distance:-0.775014,ads_E:-5.11493	hecc
5	Cu₅₄N	ratio:0.96,dipole:0.160,distance:-0.035,ads_E:-4.570	ratio:0.9,dipole:-0.149,distance:-0.666,ads_E:-3.448	hecc
6	Cu₅₄O	ratio:0.960,dipole:0.131,distance:0.342,ads_E:-5.226	ratio:0.900,dipole:-0.175,distance:-0.311,ads_E:-4.372	hecc
7	Cu₅₄F	ratio:0.960,dipole:0.260,distance:0.787,ads_E:-4.090	ratio:0.900,dipole:-0.137,distance:0.107,ads_E:-3.084	hecc
8	Cu₅₄Ar	ratio:0.94,dipole:-0.431,distance:2.731,ads_E:0.139	ratio:0.9,dipole:-0.757,distance:2.324,ads_E:0.500	hecc