ASE database

Displaying rows 1-8 out of 8

↓ ID ✕	Formula ✕	PBC ✕	Age ✕	Dipole_val ✕	no_equ_31 ✕	no_equ_3 ✕	no_equ_29 ✕	no_equ_24 ✕
1	Cu₅₄Li	TTT	13M	-2.989	-	ratio:0.96,dipole:-1.624,distance:1.400,ads_E:-1.949	-	-
2	BeCu₅₄	TTT	13M	-0.069	-	ratio:0.96,dipole:0.234375,distance:0.531386,ads_E:-2.83237	-	-
3	Cu₅₄B	TTT	13M	0.558	-	ratio:0.960,dipole:0.398,distance:-0.066,ads_E:-5.490	-	-
4	Cu₅₄C	TTT	13M	0.431	-	ratio:0.96,dipole:0.291413,distance:-0.150308,ads_E:-6.20762	-	-
5	Cu₅₄N	TTT	13M	0.356	-	ratio:0.96,dipole:0.160,distance:-0.035,ads_E:-4.570	-	-
6	Cu₅₄O	TTT	13M	0.473	-	ratio:0.960,dipole:0.131,distance:0.342,ads_E:-5.226	-	-
7	Cu₅₄F	TTT	13M	0.677	-	ratio:0.960,dipole:0.260,distance:0.787,ads_E:-4.090	-	-
8	Cu₅₄Ar	TTT	13M	-0.049	ratio:1.5,dipole:0.000,distance:10.329,ads_E:-0.005	ratio:0.94,dipole:-0.431,distance:2.731,ads_E:0.139	ratio:1.46,dipole:0.000,distance:9.786,ads_E:-0.005	ratio:1.36,dipole:0.001,distance:8.429,ads_E:-0.005