ASE database

Displaying rows 51-75 out of 594

↓ ID ✕	Formula ✕	ads_E ✕	Calculator ✕	Charge ✕	PBC ✕	Dipole_val ✕	str_E ✕
51	Au₅₄P	-1.663	vasp	0.000	TTT	0.133	-168.614
52	Au₅₄S	-2.279	vasp	0.000	TTT	1.591	-168.287
53	Au₅₄Cl	-2.402	vasp	0.000	TTT	2.287	-167.708
54	Au₅₄Ar	-0.003	vasp	0.000	TTT	-0.102	-165.092
55	Au₇₂H	-1.683	vasp	0.000	TTT	-0.181	-221.327
56	Au₇₂He	-0.005	vasp	0.000	TTT	-0.016	-218.530
57	Au₇₂Li	-2.954	vasp	0.000	TTT	-1.996	-221.779
58	Au₇₂Be	-3.785	vasp	0.000	TTT	-0.158	-222.351
59	Au₇₂B	-5.089	vasp	0.000	TTT	0.170	-223.965
60	Au₇₂C	-4.383	vasp	0.000	TTT	0.284	-224.158
61	Au₇₂N	-2.009	vasp	0.000	TTT	0.438	-223.660
62	Au₇₂O	-2.954	vasp	0.000	TTT	0.578	-223.013
63	Au₇₂F	-3.008	vasp	0.000	TTT	1.101	-221.958
64	Au₇₂Ne	-0.008	vasp	0.000	TTT	-0.007	-218.548
65	Au₇₂Na	-2.503	vasp	0.000	TTT	-3.683	-221.255
66	Au₇₂Mg	-2.706	vasp	0.000	TTT	-1.984	-221.237
67	AlAu₇₂	-4.343	vasp	0.000	TTT	-0.572	-223.165
68	Au₇₂Si	-4.977	vasp	0.000	TTT	-0.022	-224.334
69	Au₇₂P	-3.831	vasp	0.000	TTT	0.189	-224.246
70	Au₇₂S	-3.509	vasp	0.000	TTT	0.303	-222.981
71	Au₇₂Cl	-2.405	vasp	0.000	TTT	1.191	-221.174
72	Au₇₂Ar	-0.002	vasp	0.000	TTT	-0.072	-218.555
73	Au₇₂H	-1.957	vasp	0.000	TTT	-0.028	-221.601
74	Au₇₂He	-0.005	vasp	0.000	TTT	-0.021	-218.530
75	Au₇₂Li	-2.846	vasp	0.000	TTT	-2.222	-221.672

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