ASE database

Displaying rows 1-8 out of 8

↓ ID ✕	Formula ✕	plane_index ✕	no_equ_24 ✕	no_equ_16 ✕	Energy ✕	no_equ_29 ✕	no_equ_10 ✕	Number of atoms ✕	Maximum force ✕
1	Cu₅₄Li	100	-	ratio:1.9,dipole:-3.128,distance:12.609,ads_E:-0.058	-193.113	-	ratio:1.17,dipole:-3.222,distance:3.904,ads_E:-0.582	55	0.009
2	BeCu₅₄	100	-	ratio:1.5,dipole:-0.0113499,distance:6.50408,ads_E:-0.00416696	-193.566	-	ratio:1.2,dipole:-0.359907,distance:3.18592,ads_E:-0.372501	55	0.010
3	Cu₅₄B	100	-	ratio:2.000,dipole:-1.008,distance:10.843,ads_E:-0.007	-196.413	-	ratio:1.200,dipole:0.935,distance:2.451,ads_E:-2.045	55	0.005
4	Cu₅₄C	100	-	ratio:1.51,dipole:2.9677,distance:5.57616,ads_E:-0.10513	-198.094	-	ratio:1.2,dipole:1.54212,distance:2.34852,ads_E:-2.29339	55	0.010
5	Cu₅₄N	100	-	ratio:1.45,dipole:0.007,distance:5.116,ads_E:-0.007	-198.315	-	ratio:1.2,dipole:1.380,distance:2.488,ads_E:-0.433	55	0.005
6	Cu₅₄O	100	-	ratio:2.100,dipole:4.187,distance:12.753,ads_E:-0.168	-197.510	-	ratio:1.200,dipole:3.021,distance:2.955,ads_E:-0.945	55	0.008
7	Cu₅₄F	100	-	-	-195.280	-	ratio:1.250,dipole:6.761,distance:4.069,ads_E:-1.287	55	0.006
8	Cu₅₄Ar	100	ratio:1.36,dipole:0.001,distance:8.429,ads_E:-0.005	ratio:1.2,dipole:0.005,distance:6.259,ads_E:-0.006	-190.598	ratio:1.46,dipole:0.000,distance:9.786,ads_E:-0.005	ratio:1.08,dipole:0.005,distance:4.631,ads_E:-0.014	55	0.007