ASE database

Displaying rows 51-8 out of 8

↓ ID ✕	Formula ✕	Volume ✕	Calculator ✕	str_E ✕	Maximum stress ✕	Dipole_val ✕	atom_E ✕	Username ✕	Maximum force ✕
51	Au₅₄P	2654.442	vasp	-168.614	0.011	0.133	-1.888	hecc	0.004
52	Au₅₄S	2654.442	vasp	-168.287	0.011	1.591	-0.945	hecc	0.009
53	Au₅₄Cl	2654.442	vasp	-167.708	0.010	2.287	-0.243	hecc	0.008
54	Au₅₄Ar	2654.442	vasp	-165.092	0.011	-0.102	-0.025	hecc	0.005
55	Au₇₂H	3649.858	vasp	-221.327	0.013	-0.181	-1.117	hecc	0.010
56	Au₇₂He	3649.858	vasp	-218.530	0.013	-0.016	0.002	hecc	0.008
57	Au₇₂Li	3649.858	vasp	-221.779	0.014	-1.996	-0.299	hecc	0.010
58	Au₇₂Be	3649.858	vasp	-222.351	0.014	-0.158	-0.039	hecc	0.007
59	Au₇₂B	3649.858	vasp	-223.965	0.014	0.170	-0.349	hecc	0.009
60	Au₇₂C	3649.858	vasp	-224.158	0.013	0.284	-1.248	hecc	0.009
61	Au₇₂N	3649.858	vasp	-223.660	0.013	0.438	-3.124	hecc	0.007
62	Au₇₂O	3649.858	vasp	-223.013	0.013	0.578	-1.533	hecc	0.008
63	Au₇₂F	3649.858	vasp	-221.958	0.013	1.101	-0.424	hecc	0.010
64	Au₇₂Ne	3649.858	vasp	-218.548	0.013	-0.007	-0.013	hecc	0.008
65	Au₇₂Na	3649.858	vasp	-221.255	0.014	-3.683	-0.225	hecc	0.006
66	Au₇₂Mg	3649.858	vasp	-221.237	0.014	-1.984	-0.004	hecc	0.005
67	AlAu₇₂	3649.858	vasp	-223.165	0.013	-0.572	-0.295	hecc	0.005
68	Au₇₂Si	3649.858	vasp	-224.334	0.013	-0.022	-0.830	hecc	0.007
69	Au₇₂P	3649.858	vasp	-224.246	0.013	0.189	-1.888	hecc	0.009
70	Au₇₂S	3649.858	vasp	-222.981	0.013	0.303	-0.945	hecc	0.005
71	Au₇₂Cl	3649.858	vasp	-221.174	0.013	1.191	-0.243	hecc	0.010
72	Au₇₂Ar	3649.858	vasp	-218.555	0.013	-0.072	-0.025	hecc	0.007
73	Au₇₂H	3649.858	vasp	-221.601	0.013	-0.028	-1.117	hecc	0.009
74	Au₇₂He	3649.858	vasp	-218.530	0.013	-0.021	0.002	hecc	0.010
75	Au₇₂Li	3649.858	vasp	-221.672	0.014	-2.222	-0.299	hecc	0.010