ASE database

Displaying rows 1-25 out of 594

↓ ID ✕	Formula ✕	ads_site ✕	Username ✕	atom_E ✕	Magnetic moment ✕	Calculator ✕	Dipole_val ✕
1	Au₅₄H	2f	hecc	-1.117	0.000	vasp	-0.123
2	Au₅₄He	2f	hecc	0.002	0.000	vasp	-0.011
3	Au₅₄Li	2f	hecc	-0.299	-0.000	vasp	-2.696
4	Au₅₄Be	2f	hecc	-0.039	0.000	vasp	-0.238
5	Au₅₄B	2f	hecc	-0.349	0.000	vasp	-0.022
6	Au₅₄C	2f	hecc	-1.248	-0.000	vasp	0.044
7	Au₅₄N	2f	hecc	-3.124	-0.000	vasp	0.360
8	Au₅₄O	2f	hecc	-1.533	0.000	vasp	0.594
9	Au₅₄F	2f	hecc	-0.424	0.000	vasp	1.029
10	Au₅₄Ne	2f	hecc	-0.013	0.000	vasp	-0.012
11	Au₅₄Na	2f	hecc	-0.225	-0.000	vasp	-4.669
12	Au₅₄Mg	2f	hecc	-0.004	0.000	vasp	-2.555
13	AlAu₅₄	2f	hecc	-0.295	-0.000	vasp	-0.805
14	Au₅₄Si	2f	hecc	-0.830	-0.000	vasp	-0.276
15	Au₅₄P	2f	hecc	-1.888	0.000	vasp	0.008
16	Au₅₄S	2f	hecc	-0.945	0.000	vasp	0.191
17	Au₅₄Cl	2f	hecc	-0.243	0.000	vasp	0.752
18	Au₅₄Ar	2f	hecc	-0.025	-0.000	vasp	-0.077
19	Au₅₄H	1b	hecc	-1.117	0.000	vasp	-0.004
20	Au₅₄He	1b	hecc	0.002	-0.000	vasp	-0.017
21	Au₅₄Li	1b	hecc	-0.299	0.000	vasp	-3.955
22	Au₅₄Be	1b	hecc	-0.039	-0.000	vasp	-1.093
23	Au₅₄B	1b	hecc	-0.349	-0.000	vasp	-0.008
24	Au₅₄C	1b	hecc	-1.248	0.000	vasp	0.475
25	Au₅₄N	1b	hecc	-3.124	0.000	vasp	0.930

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