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Data from: Competing polar and antipolar phases in n=2 Ruddlesden-Popper niobates and tantalates from first principles

Data files

Dec 01, 2023 version files 71.13 KB

Abstract

This dataset contains the optimized structures from our density functional theory (DFT) calculations presented in our manuscript "Competing polar and antipolar phases in n=2 Ruddlesden-Popper niobates and tantalates from first principles" Input files for the calculations are also are provided.