ASE database

Displaying rows 1-8 out of 8

↓ ID ✕	Formula ✕	no_equ_10 ✕	Energy ✕	Age ✕	PBC ✕	plane_index ✕	str_E ✕
1	Cu₅₄Li	ratio:1.17,dipole:-3.222,distance:3.904,ads_E:-0.582	-193.113	13M	TTT	100	-193.113
2	BeCu₅₄	ratio:1.2,dipole:-0.359907,distance:3.18592,ads_E:-0.372501	-193.566	13M	TTT	100	-193.566
3	Cu₅₄B	ratio:1.200,dipole:0.935,distance:2.451,ads_E:-2.045	-196.413	13M	TTT	100	-196.413
4	Cu₅₄C	ratio:1.2,dipole:1.54212,distance:2.34852,ads_E:-2.29339	-198.094	13M	TTT	100	-198.094
5	Cu₅₄N	ratio:1.2,dipole:1.380,distance:2.488,ads_E:-0.433	-198.315	13M	TTT	100	-198.315
6	Cu₅₄O	ratio:1.200,dipole:3.021,distance:2.955,ads_E:-0.945	-197.510	13M	TTT	100	-197.510
7	Cu₅₄F	ratio:1.250,dipole:6.761,distance:4.069,ads_E:-1.287	-195.280	13M	TTT	100	-195.280
8	Cu₅₄Ar	ratio:1.08,dipole:0.005,distance:4.631,ads_E:-0.014	-190.598	13M	TTT	100	-190.598