DOI: 10.1039/d5cp02162f ISSN: 1463-9076
Prediction of novel gallium–sulfur compositions under pressure
Reza Shahsavari, Sylvain Pitié, Somayeh Faraji, Lewis J. Conway, Chris J. Pickard, S. Javad Hashemifar, Alireza Shahidi, Gilles FrapperPredicting the (meta)stable crystal structures in a binary phase diagram under pressure is essential for enhancing our understanding of high-pressure materials.