ASE database

Displaying rows 1-8 out of 8

↓ ID ✕	Formula ✕	no_equ_29 ✕	no_equ_5 ✕	Magnetic moment ✕	PBC ✕	Number of atoms ✕	no_equ_28 ✕
1	Cu₅₄Li	-	ratio:1.03,dipole:-2.924,distance:2.235,ads_E:-2.040	0.000	TTT	55	-
2	BeCu₅₄	-	ratio:1.03,dipole:-0.173906,distance:1.30562,ads_E:-2.87935	-0.000	TTT	55	-
3	Cu₅₄B	-	ratio:1.030,dipole:0.635,distance:0.668,ads_E:-5.579	0.000	TTT	55	-
4	Cu₅₄C	-	ratio:1.03,dipole:0.653681,distance:0.578516,ads_E:-6.33223	-0.000	TTT	55	-
5	Cu₅₄N	-	ratio:1.03,dipole:0.566,distance:0.701,ads_E:-4.655	-0.000	TTT	55	-
6	Cu₅₄O	-	ratio:1.030,dipole:0.754,distance:1.104,ads_E:-5.283	0.000	TTT	55	-
7	Cu₅₄F	-	ratio:1.030,dipole:1.159,distance:1.579,ads_E:-4.212	-0.000	TTT	55	-
8	Cu₅₄Ar	ratio:1.46,dipole:0.000,distance:9.786,ads_E:-0.005	ratio:0.98,dipole:-0.177,distance:3.274,ads_E:0.014	-0.000	TTT	55	ratio:1.44,dipole:0.000,distance:9.515,ads_E:-0.005