This Python script generates a 1H transition metal dichalcogenide (TMD) structure based on user-specified metal and chalcogen elements. The structure is built using the pymatgen and ase libraries, allowing for supercell customization. The script saves the structure in CIF format and displays a visualization of the structure.
This script requires the following libraries:
pymatgen(for creating the structure and manipulating lattice parameters)ase(for visualizing the structure)
To install the dependencies, run:
pip install pymatgen ase