ASE database

Displaying rows 451-475 out of 594

Formula ✕	Mass ✕	ads_site ✕	Number of atoms ✕	ads_E ✕	PBC ✕	Maximum force ✕	Maximum stress ✕
Cu₇₂H	4576.320	2f	73	-2.204	TTT	0.007	0.010
Cu₇₂He	4579.315	2f	73	-0.042	TTT	0.009	0.010
Cu₇₂Li	4582.252	2f	73	-2.422	TTT	0.008	0.009
BeCu₇₂	4584.324	2f	73	-3.294	TTT	0.010	0.009
Cu₇₂B	4586.122	2f	73	-5.359	TTT	0.009	0.009
Cu₇₂C	4587.323	2f	73	-5.870	TTT	0.010	0.009
Cu₇₂N	4589.319	2f	73	-4.147	TTT	0.007	0.010
Cu₇₂O	4591.311	2f	73	-4.973	TTT	0.010	0.010
Cu₇₂F	4594.310	2f	73	-4.078	TTT	0.008	0.009
Cu₇₂Ne	4595.492	2f	73	-0.046	TTT	0.008	0.009
Cu₇₂Na	4598.302	2f	73	-1.964	TTT	0.009	0.009
Cu₇₂Mg	4599.617	2f	73	-1.982	TTT	0.010	0.009
AlCu₇₂	4602.294	2f	73	-3.772	TTT	0.006	0.009
Cu₇₂Si	4603.397	2f	73	-4.927	TTT	0.009	0.009
Cu₇₂P	4606.286	2f	73	-4.587	TTT	0.008	0.009
Cu₇₂S	4607.372	2f	73	-4.939	TTT	0.009	0.009
Cu₇₂Cl	4610.762	2f	73	-3.364	TTT	0.009	0.009
Cu₇₂Ar	4615.260	2f	73	-0.041	TTT	0.013	0.010
Cu₇₂H	4576.320	3b	73	-2.449	TTT	0.006	0.009
Cu₇₂He	4579.315	3b	73	-0.043	TTT	0.010	0.010
Cu₇₂Li	4582.252	3b	73	-1.878	TTT	0.008	0.009
BeCu₇₂	4584.324	3b	73	-1.807	TTT	0.008	0.008
Cu₇₂B	4586.122	3b	73	-3.632	TTT	0.010	0.006
Cu₇₂C	4587.323	3b	73	-5.663	TTT	0.006	0.006
Cu₇₂N	4589.319	3b	73	-3.160	TTT	0.007	0.008

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