ASE database

Displaying rows 101-125 out of 594

↓ ID ✕	Formula ✕	Calculator ✕	Number of atoms ✕	ads_site ✕	Dipole_val ✕
101	Au₇₂Na	vasp	73	1b	-6.067
102	Au₇₂Mg	vasp	73	1b	-3.492
103	AlAu₇₂	vasp	73	1b	-1.522
104	Au₇₂Si	vasp	73	1b	-0.561
105	Au₇₂P	vasp	73	1b	0.405
106	Au₇₂S	vasp	73	1b	1.306
107	Au₇₂Cl	vasp	73	1b	1.286
108	Au₇₂Ar	vasp	73	1b	-0.163
109	Au₇₂H	vasp	73	0t	0.312
110	Au₇₂He	vasp	73	0t	-0.024
111	Au₇₂Li	vasp	73	0t	-5.675
112	Au₇₂Be	vasp	73	0t	-1.886
113	Au₇₂B	vasp	73	0t	0.023
114	Au₇₂C	vasp	73	0t	0.775
115	Au₇₂N	vasp	73	0t	1.821
116	Au₇₂O	vasp	73	0t	2.735
117	Au₇₂F	vasp	73	0t	2.894
118	Au₇₂Ne	vasp	73	0t	-0.020
119	Au₇₂Na	vasp	73	0t	-6.877
120	Au₇₂Mg	vasp	73	0t	-3.881
121	AlAu₇₂	vasp	73	0t	-2.381
122	Au₇₂Si	vasp	73	0t	-1.395
123	Au₇₂P	vasp	73	0t	0.382
124	Au₇₂S	vasp	73	0t	2.053
125	Au₇₂Cl	vasp	73	0t	2.575

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