Crystal Card

COD ID:
Space Group Information Predicted Material Properties Anisotropic Graphs

COD ID:

Unit Cell Details:


Crystal Name
Chemical Formula
Hermann-Mauguin Space Group
Lattice Constants a 0Å α 0°
b 0Å β 0°
c 0Å γ 0°
Cell Volume 0 Å3

Predicted Material Properties:

Piezoelectric Strain Constants [pC/N]:

Elastic Constants [GPa]:

Eigenvalues of the Elastic (Stiffness) Matrix
λ1 λ2 λ3 λ4 λ5 λ6

Predictions and Analysis:

2D Plots of the Elastic Tensor (C):


Polar plots showing the directional dependence of Young's modulus and Poisson's ratio, derived from the elastic tensor (C) in a material. The plots are based on first-principles calculations, illustrating the elastic and anisotropic properties of the material.

Figure: 2D Plots of the Elastic Tensor (C): Directional Dependence of Young's Modulus (GPa) and Poisson's Ratio. First-principles calculations are performed to systematically investigate the electronic structures, elastic properties, and their anisotropic nature.


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3D Plot of the Piezoelectric Tensor (d):


Piezoelectric Surface Magnitude Graph.

Figure: 3D surface representation of the piezoelectric strain tensor (dij) for the crystal. The surface magnitude illustrates the directional dependence of the piezoelectric response in units of pC/N, revealing anisotropic behaviour linked to the crystal symmetry and atomic arrangement. The plot visualises how mechanical deformation induces electric polarisation along different crystallographic directions.


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