ASE database

Displaying rows 526-550 out of 594

↓ ID ✕	Formula ✕	Number of atoms ✕	ads_site ✕	ads_E ✕	Calculator ✕	PBC ✕	Dipole_val ✕	slab_E ✕
526	BeCu₅₄	55	2h	-2.619	vasp	TTT	-0.793	-192.845
527	Cu₅₄B	55	2h	-4.490	vasp	TTT	0.375	-192.845
528	Cu₅₄C	55	2h	-5.211	vasp	TTT	0.645	-192.845
529	Cu₅₄N	55	2h	-3.932	vasp	TTT	0.716	-192.845
530	Cu₅₄O	55	2h	-5.095	vasp	TTT	0.779	-192.845
531	Cu₅₄F	55	2h	-4.237	vasp	TTT	0.691	-192.845
532	Cu₅₄Ne	55	2h	-0.008	vasp	TTT	-0.008	-192.845
533	Cu₅₄Na	55	2h	-1.954	vasp	TTT	-4.509	-192.845
534	Cu₅₄Mg	55	2h	-1.709	vasp	TTT	-2.586	-192.845
535	AlCu₅₄	55	2h	-3.201	vasp	TTT	-0.999	-192.845
536	Cu₅₄Si	55	2h	-4.137	vasp	TTT	0.033	-192.845
537	Cu₅₄P	55	2h	-3.854	vasp	TTT	0.599	-192.845
538	Cu₅₄S	55	2h	-4.558	vasp	TTT	0.730	-192.845
539	Cu₅₄Cl	55	2h	-3.399	vasp	TTT	0.342	-192.845
540	Cu₅₄Ar	55	2h	-0.007	vasp	TTT	-0.060	-192.845
541	Cu₅₄H	55	3h	-2.558	vasp	TTT	0.018	-192.845
542	Cu₅₄He	55	3h	-0.003	vasp	TTT	-0.018	-192.845
543	Cu₅₄Li	55	3h	-2.332	vasp	TTT	-3.363	-192.845
544	BeCu₅₄	55	3h	-2.613	vasp	TTT	-0.802	-192.845
545	Cu₅₄B	55	3h	-4.474	vasp	TTT	0.352	-192.845
546	Cu₅₄C	55	3h	-5.168	vasp	TTT	0.620	-192.845
547	Cu₅₄N	55	3h	-3.847	vasp	TTT	0.718	-192.845
548	Cu₅₄O	55	3h	-5.003	vasp	TTT	0.820	-192.845
549	Cu₅₄F	55	3h	-4.205	vasp	TTT	0.747	-192.845
550	Cu₅₄Ne	55	3h	-0.008	vasp	TTT	-0.010	-192.845

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