PyXtal: A Python library for crystal structure generation and symmetry analysis
Scott Fredericks, Kevin Parrish, Dean Sayre, Qiang Zhu
Topics & Concepts
Python (programming language)Homogeneous spaceSymmetry (geometry)Molecular symmetrySymmetry groupGroup (periodic table)Computer scienceCrystallographyGeometryCrystallographic point groupPoint groupCrystal structureComputational scienceMathematicsPhysicsChemistryMoleculeProgramming languageQuantum mechanicsMachine Learning in Materials ScienceX-ray Diffraction in CrystallographyCrystallography and molecular interactions