Double Perovskites Gap Data

Band gap of 1306 double perovskites (a_1-b_1-a_2-b_2-O6) calculated using Gritsenko, van Leeuwen, van Lenthe and Baerends potential (gllbsc) in GPAW. Collected here for prediction of material band gap and comparison to work done by Pilania et al. Lumo supplementary dataset holds data on lowest unocc...

Ausführliche Beschreibung

Bibliographische Detailangaben

Hauptverfasser:	G. Pilania, A. Mannodi-Kanakkithodi, Uberuaga, Blas Pedro, Gubernatis, James E., T. Lookman, Hacking Materials
Format:	Dataset
Sprache:	eng
Schlagworte:	FOS: Chemical sciences FOS: Materials engineering Materials Engineering not elsewhere classified Synthesis of Materials Theory and Design of Materials
Online-Zugang:	Volltext bestellen
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