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

<p><span>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.</span></p>