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
Contributor:
Pierre-marie ZANETTA

Description

DFT Calculations data needed to reproduce any results of the manuscript

Files

Steps to reproduce

Use the Contcar files in VASP to optain ground state energies. Use the Matlab script to reproduce the ternary plot.

Institutions

University of Arizona

Categories

Scripting Language, Density Functional Theory

Licence