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.
Repositorio de Datos de Investigación de la Universidad de Chile2021-01-01 更新30
Supplemental material for the above manuscript. Revised version (v2.0). Includes the complete code archive, including all Quantum ESPRESSO calculation input and output files, as well as postprocessing
This dataset contains a vertical slice of the data used to generate the results found in the publication "Exploring the configuration space of elemental carbon with empirical and machine learned inter
IF YOU ARE ON THIS PAGE PLEASE REFER TO THE LATEST UPDATED VERSION! This is a High-Throughput Density Functional Theory (HT-DFT) dataset of halide perovskites (HaPs) that has been used for HT-screeni
