ASE database

Displaying rows 1-25 out of 594

↓ ID ✕	Formula ✕	str_E ✕	slab_E ✕	Energy ✕	ads_site ✕	Maximum force ✕	distance ✕
1	Au₅₄H	-168.070	-165.064	-168.070	2f	0.008	0.464
2	Au₅₄He	-165.069	-165.064	-165.069	2f	0.006	3.597
3	Au₅₄Li	-168.230	-165.064	-168.230	2f	0.008	1.620
4	Au₅₄Be	-169.147	-165.064	-169.147	2f	0.008	0.461
5	Au₅₄B	-171.055	-165.064	-171.055	2f	0.008	0.094
6	Au₅₄C	-171.207	-165.064	-171.207	2f	0.009	0.055
7	Au₅₄N	-170.577	-165.064	-170.577	2f	0.008	0.748
8	Au₅₄O	-169.926	-165.064	-169.926	2f	0.009	0.843
9	Au₅₄F	-168.695	-165.064	-168.695	2f	0.005	1.259
10	Au₅₄Ne	-165.085	-165.064	-165.085	2f	0.010	3.424
11	Au₅₄Na	-167.652	-165.064	-167.652	2f	0.005	2.111
12	Au₅₄Mg	-167.509	-165.064	-167.509	2f	0.010	1.410
13	AlAu₅₄	-169.611	-165.064	-169.611	2f	0.010	0.934
14	Au₅₄Si	-170.944	-165.064	-170.944	2f	0.006	0.866
15	Au₅₄P	-171.031	-165.064	-171.031	2f	0.006	1.150
16	Au₅₄S	-169.906	-165.064	-169.906	2f	0.007	1.251
17	Au₅₄Cl	-167.868	-165.064	-167.868	2f	0.010	1.721
18	Au₅₄Ar	-165.095	-165.064	-165.095	2f	0.006	3.651
19	Au₅₄H	-168.428	-165.064	-168.428	1b	0.010	0.885
20	Au₅₄He	-165.069	-165.064	-165.069	1b	0.009	3.568
21	Au₅₄Li	-167.904	-165.064	-167.904	1b	0.009	1.954
22	Au₅₄Be	-167.816	-165.064	-167.816	1b	0.009	1.213
23	Au₅₄B	-169.754	-165.064	-169.754	1b	0.009	0.861
24	Au₅₄C	-170.497	-165.064	-170.497	1b	0.006	1.062
25	Au₅₄N	-170.360	-165.064	-170.360	1b	0.010	1.146

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