ASE database

Displaying rows 1-25 out of 594

↓ ID ✕	Formula ✕	Energy ✕	Maximum stress ✕	Dipole_val ✕	ads_site ✕	PBC ✕	Maximum force ✕
1	Au₅₄H	-168.070	0.012	-0.123	2f	TTT	0.008
2	Au₅₄He	-165.069	0.011	-0.011	2f	TTT	0.006
3	Au₅₄Li	-168.230	0.011	-2.696	2f	TTT	0.008
4	Au₅₄Be	-169.147	0.010	-0.238	2f	TTT	0.008
5	Au₅₄B	-171.055	0.011	-0.022	2f	TTT	0.008
6	Au₅₄C	-171.207	0.011	0.044	2f	TTT	0.009
7	Au₅₄N	-170.577	0.011	0.360	2f	TTT	0.008
8	Au₅₄O	-169.926	0.011	0.594	2f	TTT	0.009
9	Au₅₄F	-168.695	0.011	1.029	2f	TTT	0.005
10	Au₅₄Ne	-165.085	0.011	-0.012	2f	TTT	0.010
11	Au₅₄Na	-167.652	0.011	-4.669	2f	TTT	0.005
12	Au₅₄Mg	-167.509	0.010	-2.555	2f	TTT	0.010
13	AlAu₅₄	-169.611	0.010	-0.805	2f	TTT	0.010
14	Au₅₄Si	-170.944	0.010	-0.276	2f	TTT	0.006
15	Au₅₄P	-171.031	0.011	0.008	2f	TTT	0.006
16	Au₅₄S	-169.906	0.011	0.191	2f	TTT	0.007
17	Au₅₄Cl	-167.868	0.011	0.752	2f	TTT	0.010
18	Au₅₄Ar	-165.095	0.011	-0.077	2f	TTT	0.006
19	Au₅₄H	-168.428	0.011	-0.004	1b	TTT	0.010
20	Au₅₄He	-165.069	0.011	-0.017	1b	TTT	0.009
21	Au₅₄Li	-167.904	0.012	-3.955	1b	TTT	0.009
22	Au₅₄Be	-167.816	0.012	-1.093	1b	TTT	0.009
23	Au₅₄B	-169.754	0.011	-0.008	1b	TTT	0.009
24	Au₅₄C	-170.497	0.011	0.475	1b	TTT	0.006
25	Au₅₄N	-170.360	0.011	0.930	1b	TTT	0.010

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