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Pressure-composition phase diagram

This program uses the Linear Approximation of Enthalpy (LAE) to calculate the approximate pressure-composition phase diagram given one pressure.

The method is described in M. Amsler, V. I. Hegde, S. D. Jacobsen and C. Wolverton. Exploring the High-Pressure Materials Genome. Phys. Rev. X 8, 041021 (2018).





Pressure (GPa):
extended_convex_hull: