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    <identifier identifierType="DOI">10.34691/FK2/PXNHBG</identifier>
    <creators><creator><creatorName>Menéndez-Proupin, Eduardo</creatorName><nameIdentifier schemeURI="https://orcid.org/" nameIdentifierScheme="ORCID">0000-0001-7534-8464</nameIdentifier><affiliation>(Departamento de Física Aplicada I, Escuela Politécnica Superior, Universidad de Sevilla, Departamento de Física, Facultad de Ciencias, Universidad de Chile)</affiliation></creator><creator><creatorName>Grover, Shivani</creatorName><nameIdentifier schemeURI="https://orcid.org/" nameIdentifierScheme="ORCID">0000-0001-6554-279X</nameIdentifier><affiliation>(Department of Chemistry, University of Reading)</affiliation></creator><creator><creatorName>Montero-Alejo, Ana L.</creatorName><nameIdentifier schemeURI="https://orcid.org/" nameIdentifierScheme="ORCID">0000-0003-1675-0546</nameIdentifier><affiliation>(Departamento de Física, Facultad de Ciencias Naturales, Matemática y del Medio Ambiente (FCNMM), Universidad Tecnológica Metropolitana)</affiliation></creator><creator><creatorName>Midgley, Scott D.</creatorName><affiliation>(Department of Chemistry, University of Reading)</affiliation></creator><creator><creatorName>Butler, Keith T.</creatorName><nameIdentifier schemeURI="https://orcid.org/" nameIdentifierScheme="ORCID">0000-0001-5432-5597</nameIdentifier><affiliation>(SciML, Scientific Computing Division, Rutherford Appleton Laboratory)</affiliation></creator><creator><creatorName>Grau-Crespo, Ricardo</creatorName><nameIdentifier schemeURI="https://orcid.org/" nameIdentifierScheme="ORCID">0000-0001-8845-1719</nameIdentifier><affiliation>(Department of Chemistry, University of Reading)</affiliation></creator></creators>
    <titles>
        <title>Data supporting Mixed-anion mixed-cation perovskite (FAPbI3)0.875(MAPbBr3)0.125: an ab initio molecular dynamics study</title>
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    <publisher>Repositorio de datos de investigación de la Universidad de Chile</publisher>
    <publicationYear>2021</publicationYear>
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        <description descriptionType="Abstract">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.</description>
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    <contributors><contributor contributorType="ContactPerson"><contributorName>Menéndez-Proupin, Eduardo</contributorName><affiliation>(Facultad de Ciencias Universidad de Chile)</affiliation></contributor></contributors>
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