Machine learning and other artificial intelligence (AI) algorithms are becoming more commonplace in modern-day society. They are starting to become a very valuable tool for chemical research--at both the fundamental research and industrial-scale optimisation levels. This is primarily due to the rise in computational chemistry methods which use simulations and advanced numerical algorithms to predict best how molecules will behave (and how they will look structurally in the case of complex systems). While research is going into a lot of different chemicals, the various allotropes of elemental phosphorus (i.e. Still, it is relatively hard to simulate using conventional computational methods compared to other elements and molecules.