ASE database

Displaying rows 51-75 out of 594

↓ ID ✕	Formula ✕	atom_E ✕	Charge ✕	Maximum stress ✕	distance ✕	Dipole_val ✕	PBC ✕
51	Au₅₄P	-1.888	0.000	0.011	2.068	0.133	TTT
52	Au₅₄S	-0.945	0.000	0.011	2.223	1.591	TTT
53	Au₅₄Cl	-0.243	0.000	0.010	2.348	2.287	TTT
54	Au₅₄Ar	-0.025	0.000	0.011	3.732	-0.102	TTT
55	Au₇₂H	-1.117	0.000	0.013	0.550	-0.181	TTT
56	Au₇₂He	0.002	0.000	0.013	3.257	-0.016	TTT
57	Au₇₂Li	-0.299	0.000	0.014	1.239	-1.996	TTT
58	Au₇₂Be	-0.039	0.000	0.014	0.506	-0.158	TTT
59	Au₇₂B	-0.349	0.000	0.014	0.212	0.170	TTT
60	Au₇₂C	-1.248	0.000	0.013	0.153	0.284	TTT
61	Au₇₂N	-3.124	0.000	0.013	0.283	0.438	TTT
62	Au₇₂O	-1.533	0.000	0.013	0.490	0.578	TTT
63	Au₇₂F	-0.424	0.000	0.013	1.058	1.101	TTT
64	Au₇₂Ne	-0.013	0.000	0.013	3.091	-0.007	TTT
65	Au₇₂Na	-0.225	0.000	0.014	1.723	-3.683	TTT
66	Au₇₂Mg	-0.004	0.000	0.014	1.112	-1.984	TTT
67	AlAu₇₂	-0.295	0.000	0.013	0.784	-0.572	TTT
68	Au₇₂Si	-0.830	0.000	0.013	0.676	-0.022	TTT
69	Au₇₂P	-1.888	0.000	0.013	0.689	0.189	TTT
70	Au₇₂S	-0.945	0.000	0.013	0.863	0.303	TTT
71	Au₇₂Cl	-0.243	0.000	0.013	1.609	1.191	TTT
72	Au₇₂Ar	-0.025	0.000	0.013	3.253	-0.072	TTT
73	Au₇₂H	-1.117	0.000	0.013	0.625	-0.028	TTT
74	Au₇₂He	0.002	0.000	0.013	3.259	-0.021	TTT
75	Au₇₂Li	-0.299	0.000	0.014	1.284	-2.222	TTT

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