<?xml version='1.0' encoding='UTF-8'?><metadata xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xmlns:dc="http://purl.org/dc/elements/1.1/" xmlns:dcterms="http://purl.org/dc/terms/" xmlns="http://dublincore.org/documents/dcmi-terms/"><dcterms:title>Data supporting Mixed-anion mixed-cation perovskite (FAPbI3)0.875(MAPbBr3)0.125: an ab initio molecular dynamics study</dcterms:title><dcterms:identifier>https://doi.org/10.34691/FK2/PXNHBG</dcterms:identifier><dcterms:creator>Menéndez-Proupin, Eduardo</dcterms:creator><dcterms:creator>Grover, Shivani</dcterms:creator><dcterms:creator>Montero-Alejo, Ana L.</dcterms:creator><dcterms:creator>Midgley, Scott D.</dcterms:creator><dcterms:creator>Butler, Keith T.</dcterms:creator><dcterms:creator>Grau-Crespo, Ricardo</dcterms:creator><dcterms:publisher>Repositorio de datos de investigación de la Universidad de Chile</dcterms:publisher><dcterms:issued>2021-11-19</dcterms:issued><dcterms:modified>2024-01-25T13:10:05Z</dcterms:modified><dcterms:description>Data of a molecular dynamics simulation of the mixed cation and mixed halide perovskite (FAPbI3)0.875(MAPbBr3)0.125 , as well as the end compounds FAPbI3 and MAPbBr3.</dcterms:description><dcterms:subject>Chemistry</dcterms:subject><dcterms:subject>Physics</dcterms:subject><dcterms:subject>perovskite</dcterms:subject><dcterms:subject>mixed cation</dcterms:subject><dcterms:subject>molecular dynamics</dcterms:subject><dcterms:language>English</dcterms:language><dcterms:isReferencedBy>J. Mater. Chem. A, 2022, Accepted Manuscript, doi, 10.1039/D1TA10860C, https://doi.org/10.1039/D1TA10860C</dcterms:isReferencedBy><dcterms:isReferencedBy>arXiv:2112.09795 [cond-mat.mtrl-sci], arXiv, 2112.09795</dcterms:isReferencedBy><dcterms:isReferencedBy>arXiv, 2112.09795, https://doi.org/10.48550/arXiv.2112.09795</dcterms:isReferencedBy><dcterms:date>2021-11-19</dcterms:date><dcterms:contributor>Menéndez-Proupin, Eduardo</dcterms:contributor><dcterms:dateSubmitted>2021-07-06</dcterms:dateSubmitted><dcterms:license>CC-BY 4.0</dcterms:license></metadata>