Published 13 October 2020, 2020 IOP Publishing Ltd Journal of Physics: Condensed Matter, Volume 33, Number 2
Citation - Etienne Palos et al 2021 J. Phys.: Condens. Matter 33 025501
This repository includes the Crystal Structures assesed in the study, as well as input files for Quantum ESPRESSO and some data on the electronic properties of Na2MoSe4 in several phases. Includes a python notebook and .cif & POSCAR files. Free to use for non-commercial purposes, e.g. research and education.