ASE database

Displaying rows 101-125 out of 594

↓ ID ✕	Formula ✕	Energy ✕	Maximum stress ✕	Dipole_val ✕	ads_site ✕	PBC ✕	Maximum force ✕
101	Au₇₂Na	-220.823	0.014	-6.067	1b	TTT	0.009
102	Au₇₂Mg	-220.273	0.012	-3.492	1b	TTT	0.008
103	AlAu₇₂	-222.069	0.012	-1.522	1b	TTT	0.007
104	Au₇₂Si	-223.274	0.012	-0.561	1b	TTT	0.006
105	Au₇₂P	-223.458	0.013	0.405	1b	TTT	0.009
106	Au₇₂S	-223.028	0.013	1.306	1b	TTT	0.007
107	Au₇₂Cl	-221.679	0.013	1.286	1b	TTT	0.009
108	Au₇₂Ar	-218.551	0.013	-0.163	1b	TTT	0.007
109	Au₇₂H	-221.776	0.013	0.312	0t	TTT	0.006
110	Au₇₂He	-218.530	0.013	-0.024	0t	TTT	0.008
111	Au₇₂Li	-221.011	0.014	-5.675	0t	TTT	0.008
112	Au₇₂Be	-220.240	0.013	-1.886	0t	TTT	0.006
113	Au₇₂B	-221.920	0.013	0.023	0t	TTT	0.005
114	Au₇₂C	-222.605	0.013	0.775	0t	TTT	0.006
115	Au₇₂N	-222.623	0.013	1.821	0t	TTT	0.008
116	Au₇₂O	-222.603	0.013	2.735	0t	TTT	0.008
117	Au₇₂F	-222.249	0.012	2.894	0t	TTT	0.007
118	Au₇₂Ne	-218.546	0.013	-0.020	0t	TTT	0.009
119	Au₇₂Na	-220.649	0.014	-6.877	0t	TTT	0.009
120	Au₇₂Mg	-219.792	0.013	-3.881	0t	TTT	0.009
121	AlAu₇₂	-221.476	0.014	-2.381	0t	TTT	0.010
122	Au₇₂Si	-222.175	0.014	-1.395	0t	TTT	0.006
123	Au₇₂P	-222.119	0.013	0.382	0t	TTT	0.034
124	Au₇₂S	-221.946	0.013	2.053	0t	TTT	0.010
125	Au₇₂Cl	-221.439	0.012	2.575	0t	TTT	0.006

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