Data for A first-principles investigation on the enthalpy landscape for the hibonite solid solution: Implications for a nebular barometer
Published: 18 October 2023| Version 1 | DOI: 10.17632/v66nz2ynbs.1
DFT Calculations data needed to reproduce any results of the manuscript
Steps to reproduce
Use the Contcar files in VASP to optain ground state energies. Use the Matlab script to reproduce the ternary plot.
University of Arizona
Scripting Language, Density Functional Theory