# -*- coding: utf-8 -*- 11 11 11 Created on Fri Jan 15 16:05:25 2021 @author: VIN 10 II III @author: Taner # Load the necessary modules from Python Materials Genomics module from pymatgen import Lattice, Structure, Molecule from pymatgen analysis.diffraction.xrd import XRDCalculator c = XRDCalculator() # Create the crystal structure of FCC platinum fcc Pt = Structure (Lattice.cubic, ["cs", "Cl"), , [[0, 0, 0], [0.5, 0.5, 0.5]]). # Prit the crsytal structure information print (fcc_Pt) # Get the space group symettry of the FCC Platinum crystal structure print (fcc_Pt.from_spacegroup() ) # Plot the XRD pattern c.show_plot(fcc_Pt) # -*- coding: utf-8 -*- 11 11 11 Created on Fri Jan 15 16:05:25 2021 @author: VIN 10 II III @author: Taner # Load the necessary modules from Python Materials Genomics module from pymatgen import Lattice, Structure, Molecule from pymatgen analysis.diffraction.xrd import XRDCalculator c = XRDCalculator() # Create the crystal structure of FCC platinum fcc Pt = Structure (Lattice.cubic, ["cs", "Cl"), , [[0, 0, 0], [0.5, 0.5, 0.5]]). # Prit the crsytal structure information print (fcc_Pt) # Get the space group symettry of the FCC Platinum crystal structure print (fcc_Pt.from_spacegroup() ) # Plot the XRD pattern c.show_plot(fcc_Pt)