Behavior of Occupied and Void Space in Molecular Crystal Structures at High Pressure
Cameron J. G. Wilson, Tomas Cervenka, P.A. Wood, Simon Parsons
Abstract
5-20 GPa). The program, called CellVol, has been written in Python using the CSD Python API and can be run through the command line or through the Cambridge Crystallographic Data Centre's Mercury interface.
Topics & Concepts
Phase transitionCrystallographyPython (programming language)Crystal structureCrystal structure predictionVoid (composites)ChemistryCrystal (programming language)Materials scienceCondensed matter physicsPhysicsComputer scienceComposite materialOperating systemProgramming languageCrystallography and molecular interactionsHigh-pressure geophysics and materialsChemical Thermodynamics and Molecular Structure