ASE database

Displaying rows 526-550 out of 594

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

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