Materials Methodology
Overview of methodology for materials-related calculations and analyses on the Materials Project (MP).
Here are the articles in this section:
Overview
Calculation Details
Thermodynamic Stability
Electronic Structure
Phonon Dispersion
Diffraction Patterns
Aqueous Stability (Pourbaix)
Magnetic Properties
Elastic Constants
Piezoelectric Constants
Dielectric Constants
Equations of State (EOS)
X-ray Absorption Spectra (XAS)
Surface Energies
Grain Boundaries
Charge Density
Suggested Substrates
Related Materials
Optical absorption spectra
Alloys
Last modified 8mo ago