Summary

Bulk and shear moduli via MatCalc

Interactive features

• Parity plots for bulk and shear moduli
• Structure visualisation for scatter points

Category

Bulk crystal / materials

Data availability

Materials Project elasticity dataset references:

M. De Jong, W. Chen, T. Angsten, A. Jain, R. Notestine, A. Gamst, M. Sluiter, C. Krishna Ande, S. Van Der Zwaag, J. J. Plata, et al., Charting the complete elastic properties of inorganic crystalline compounds, Scientific data 2, 1 (2015).

PBE/PBE + U

Computational cost

Unknown

Additional context

No response