ASE database

Displaying rows 1-25 out of 594

↓ ID ✕	Formula ✕	Dipole_val ✕	Username ✕	ads_site ✕	str_E ✕	Calculator ✕	PBC ✕
1	Au₅₄H	-0.123	hecc	2f	-168.070	vasp	TTT
2	Au₅₄He	-0.011	hecc	2f	-165.069	vasp	TTT
3	Au₅₄Li	-2.696	hecc	2f	-168.230	vasp	TTT
4	Au₅₄Be	-0.238	hecc	2f	-169.147	vasp	TTT
5	Au₅₄B	-0.022	hecc	2f	-171.055	vasp	TTT
6	Au₅₄C	0.044	hecc	2f	-171.207	vasp	TTT
7	Au₅₄N	0.360	hecc	2f	-170.577	vasp	TTT
8	Au₅₄O	0.594	hecc	2f	-169.926	vasp	TTT
9	Au₅₄F	1.029	hecc	2f	-168.695	vasp	TTT
10	Au₅₄Ne	-0.012	hecc	2f	-165.085	vasp	TTT
11	Au₅₄Na	-4.669	hecc	2f	-167.652	vasp	TTT
12	Au₅₄Mg	-2.555	hecc	2f	-167.509	vasp	TTT
13	AlAu₅₄	-0.805	hecc	2f	-169.611	vasp	TTT
14	Au₅₄Si	-0.276	hecc	2f	-170.944	vasp	TTT
15	Au₅₄P	0.008	hecc	2f	-171.031	vasp	TTT
16	Au₅₄S	0.191	hecc	2f	-169.906	vasp	TTT
17	Au₅₄Cl	0.752	hecc	2f	-167.868	vasp	TTT
18	Au₅₄Ar	-0.077	hecc	2f	-165.095	vasp	TTT
19	Au₅₄H	-0.004	hecc	1b	-168.428	vasp	TTT
20	Au₅₄He	-0.017	hecc	1b	-165.069	vasp	TTT
21	Au₅₄Li	-3.955	hecc	1b	-167.904	vasp	TTT
22	Au₅₄Be	-1.093	hecc	1b	-167.816	vasp	TTT
23	Au₅₄B	-0.008	hecc	1b	-169.754	vasp	TTT
24	Au₅₄C	0.475	hecc	1b	-170.497	vasp	TTT
25	Au₅₄N	0.930	hecc	1b	-170.360	vasp	TTT

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