{"@context":"http://schema.org","@type":"Dataset","identifier":"https://doi.org/10.34691/FK2/PXNHBG","name":"Data supporting Mixed-anion mixed-cation perovskite (FAPbI3)0.875(MAPbBr3)0.125: an ab initio molecular dynamics study","author":[{"name":"Menéndez-Proupin, Eduardo","affiliation":"Departamento de Física Aplicada I, Escuela Politécnica Superior, Universidad de Sevilla, Departamento de Física, Facultad de Ciencias, Universidad de Chile"},{"name":"Grover, Shivani","affiliation":"Department of Chemistry, University of Reading"},{"name":"Montero-Alejo, Ana L.","affiliation":"Departamento de Física, Facultad de Ciencias Naturales, Matemática y del Medio Ambiente (FCNMM),  Universidad Tecnológica Metropolitana"},{"name":"Midgley, Scott D.","affiliation":"Department of Chemistry, University of Reading"},{"name":"Butler, Keith T.","affiliation":"SciML, Scientific Computing Division, Rutherford Appleton Laboratory"},{"name":"Grau-Crespo, Ricardo","affiliation":"Department of Chemistry, University of Reading"}],"datePublished":"2021-11-19","dateModified":"2022-10-19","version":"2","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.","keywords":["Química","Física","perovskite","mixed cation","molecular dynamics"],"citation":["J. Mater. Chem. A, 2022, Accepted Manuscript ","arXiv:2112.09795 [cond-mat.mtrl-sci]"],"schemaVersion":"https://schema.org/version/3.3","license":{"@type":"Dataset","text":"The data will be freely available after publication of the article. The access to data may be subjected to an embargo following journal terms. Any use of the data should give proper citation to the data and the associated article. "},"includedInDataCatalog":{"@type":"DataCatalog","name":"Repositorio de datos de investigación de la Universidad de Chile","url":"http://datos.uchile.cl"},"provider":{"@type":"Organization","name":"Dataverse"}}