ASE database

Displaying rows 101-125 out of 594

↓ ID ✕	Formula ✕	Calculator ✕	Number of atoms ✕	ads_site ✕	Dipole_val ✕	slab_E ✕	Charge ✕
101	Au₇₂Na	vasp	73	1b	-6.067	-218.527	0.000
102	Au₇₂Mg	vasp	73	1b	-3.492	-218.527	0.000
103	AlAu₇₂	vasp	73	1b	-1.522	-218.527	0.000
104	Au₇₂Si	vasp	73	1b	-0.561	-218.527	0.000
105	Au₇₂P	vasp	73	1b	0.405	-218.527	0.000
106	Au₇₂S	vasp	73	1b	1.306	-218.527	0.000
107	Au₇₂Cl	vasp	73	1b	1.286	-218.527	0.000
108	Au₇₂Ar	vasp	73	1b	-0.163	-218.527	0.000
109	Au₇₂H	vasp	73	0t	0.312	-218.527	0.000
110	Au₇₂He	vasp	73	0t	-0.024	-218.527	0.000
111	Au₇₂Li	vasp	73	0t	-5.675	-218.527	0.000
112	Au₇₂Be	vasp	73	0t	-1.886	-218.527	0.000
113	Au₇₂B	vasp	73	0t	0.023	-218.527	0.000
114	Au₇₂C	vasp	73	0t	0.775	-218.527	0.000
115	Au₇₂N	vasp	73	0t	1.821	-218.527	0.000
116	Au₇₂O	vasp	73	0t	2.735	-218.527	0.000
117	Au₇₂F	vasp	73	0t	2.894	-218.527	0.000
118	Au₇₂Ne	vasp	73	0t	-0.020	-218.527	0.000
119	Au₇₂Na	vasp	73	0t	-6.877	-218.527	0.000
120	Au₇₂Mg	vasp	73	0t	-3.881	-218.527	0.000
121	AlAu₇₂	vasp	73	0t	-2.381	-218.527	0.000
122	Au₇₂Si	vasp	73	0t	-1.395	-218.527	0.000
123	Au₇₂P	vasp	73	0t	0.382	-218.527	0.000
124	Au₇₂S	vasp	73	0t	2.053	-218.527	0.000
125	Au₇₂Cl	vasp	73	0t	2.575	-218.527	0.000

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