ASE database

Displaying rows 51-75 out of 594

↓ ID ✕	Formula ✕	ads_E ✕	Calculator ✕	Charge ✕	PBC ✕	Dipole_val ✕
51	Au₅₄P	-1.663	vasp	0.000	TTT	0.133
52	Au₅₄S	-2.279	vasp	0.000	TTT	1.591
53	Au₅₄Cl	-2.402	vasp	0.000	TTT	2.287
54	Au₅₄Ar	-0.003	vasp	0.000	TTT	-0.102
55	Au₇₂H	-1.683	vasp	0.000	TTT	-0.181
56	Au₇₂He	-0.005	vasp	0.000	TTT	-0.016
57	Au₇₂Li	-2.954	vasp	0.000	TTT	-1.996
58	Au₇₂Be	-3.785	vasp	0.000	TTT	-0.158
59	Au₇₂B	-5.089	vasp	0.000	TTT	0.170
60	Au₇₂C	-4.383	vasp	0.000	TTT	0.284
61	Au₇₂N	-2.009	vasp	0.000	TTT	0.438
62	Au₇₂O	-2.954	vasp	0.000	TTT	0.578
63	Au₇₂F	-3.008	vasp	0.000	TTT	1.101
64	Au₇₂Ne	-0.008	vasp	0.000	TTT	-0.007
65	Au₇₂Na	-2.503	vasp	0.000	TTT	-3.683
66	Au₇₂Mg	-2.706	vasp	0.000	TTT	-1.984
67	AlAu₇₂	-4.343	vasp	0.000	TTT	-0.572
68	Au₇₂Si	-4.977	vasp	0.000	TTT	-0.022
69	Au₇₂P	-3.831	vasp	0.000	TTT	0.189
70	Au₇₂S	-3.509	vasp	0.000	TTT	0.303
71	Au₇₂Cl	-2.405	vasp	0.000	TTT	1.191
72	Au₇₂Ar	-0.002	vasp	0.000	TTT	-0.072
73	Au₇₂H	-1.957	vasp	0.000	TTT	-0.028
74	Au₇₂He	-0.005	vasp	0.000	TTT	-0.021
75	Au₇₂Li	-2.846	vasp	0.000	TTT	-2.222

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