ASE database

Displaying rows 1-25 out of 594

↓ ID ✕	Formula ✕	Maximum stress ✕	ads_E ✕	Calculator ✕	ads_site ✕	Energy ✕	plane_index ✕
1	Au₅₄H	0.012	-1.889	vasp	2f	-168.070	100
2	Au₅₄He	0.011	-0.007	vasp	2f	-165.069	100
3	Au₅₄Li	0.011	-2.868	vasp	2f	-168.230	100
4	Au₅₄Be	0.010	-4.044	vasp	2f	-169.147	100
5	Au₅₄B	0.011	-5.643	vasp	2f	-171.055	100
6	Au₅₄C	0.011	-4.895	vasp	2f	-171.207	100
7	Au₅₄N	0.011	-2.390	vasp	2f	-170.577	100
8	Au₅₄O	0.011	-3.329	vasp	2f	-169.926	100
9	Au₅₄F	0.011	-3.208	vasp	2f	-168.695	100
10	Au₅₄Ne	0.011	-0.009	vasp	2f	-165.085	100
11	Au₅₄Na	0.011	-2.363	vasp	2f	-167.652	100
12	Au₅₄Mg	0.010	-2.441	vasp	2f	-167.509	100
13	AlAu₅₄	0.010	-4.253	vasp	2f	-169.611	100
14	Au₅₄Si	0.010	-5.051	vasp	2f	-170.944	100
15	Au₅₄P	0.011	-4.079	vasp	2f	-171.031	100
16	Au₅₄S	0.011	-3.898	vasp	2f	-169.906	100
17	Au₅₄Cl	0.011	-2.562	vasp	2f	-167.868	100
18	Au₅₄Ar	0.011	-0.005	vasp	2f	-165.095	100
19	Au₅₄H	0.011	-2.247	vasp	1b	-168.428	100
20	Au₅₄He	0.011	-0.007	vasp	1b	-165.069	100
21	Au₅₄Li	0.012	-2.541	vasp	1b	-167.904	100
22	Au₅₄Be	0.012	-2.713	vasp	1b	-167.816	100
23	Au₅₄B	0.011	-4.341	vasp	1b	-169.754	100
24	Au₅₄C	0.011	-4.185	vasp	1b	-170.497	100
25	Au₅₄N	0.011	-2.172	vasp	1b	-170.360	100

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