Wrong elastic data of mp-1234

Materials Project
1

The elastic data of mp-1234 seems to be problematic:

Bulk Modulus, Voigt 378977 GPa
Bulk Modulus, Reuss 107 GPa
Bulk Modulus, Voigt-Reuss-Hill 189542 GPa
Shear Modulus, Voigt 227396 GPa
Shear Modulus, Reuss 68 GPa
Shear Modulus, Voigt-Reuss-Hill 113732 GPa
Poisson’s Ratio 0.25
Universal Anisotropy 20251.11

The above data are significantly different from those in legacy Materials Project.

2

@Takeshi_Miyake, thank you for reporting this. We will take a closer look.

– Jason