ELATE: Elastic tensor analysis
Welcome to ELATE, the online tool for analysis of elastic tensors, developed by Romain Gaillac and François-Xavier Coudert at CNRS / Chimie ParisTech.
If you use the
software in published results (paper, conference, etc.), please cite the corresponding paper
(J. Phys. Condens. Matter, 2016, 28, 275201) and give the website URL.
ELATE is open source software. Any queries or comments are welcome at
Summary of the properties (3D material)
Input: stiffness matrix (coefficients in GPa) of ZnO (Materials Project id mp-2133)
188 109 92 0 0 0 109 188 92 0 0 0 92 92 205 0 0 0 0 0 0 37 0 0 0 0 0 0 37 0 0 0 0 0 0 39
Average properties
Averaging scheme | Bulk modulus | Young's modulus | Shear modulus | Poisson's ratio |
---|---|---|---|---|
Voigt | KV = 129.67 GPa | EV = 113.23 GPa | GV = 41.8 GPa | νV = 0.35446 |
Reuss | KR = 129.67 GPa | ER = 110.65 GPa | GR = 40.746 GPa | νR = 0.35778 |
Hill | KH = 129.67 GPa | EH = 111.94 GPa | GH = 41.273 GPa | νH = 0.35612 |
Eigenvalues of the stiffness matrix
λ1 | λ2 | λ3 | λ4 | λ5 | λ6 |
---|---|---|---|---|---|
37 GPa | 37 GPa | 39 GPa | 79 GPa | 113 GPa | 389 GPa |
Variations of the elastic moduli
Young's modulus | Linear compressibility | Shear modulus | Poisson's ratio | Emin | Emax | βmin | βmax | Gmin | Gmax | νmin | νmax |
---|---|---|---|---|---|---|---|---|---|
Value | 102.89 GPa | 148 GPa | 2.5707 TPa–1 | 2.5707 TPa–1 | 37 GPa | 51.011 GPa | 0.23941 | 0.46653 | Value |
Anisotropy | 1.438 | 1.0000 | 1.379 | 1.9486 | Anisotropy | ||||
Axis | 0.5636 0.5636 -0.6040 |
0.0000 0.0000 1.0000 |
0.8924 0.2391 -0.3827 |
0.2588 0.0000 0.9659 |
0.0000 0.0000 1.0000 |
0.7071 -0.0003 0.7071 |
0.7071 0.7071 0.0000 |
-0.7071 0.7071 -0.0000 |
Axis |
-0.7662 0.6426 -0.0000 |
0.7071 -0.0005 -0.7071 |
0.0004 -0.0004 -1.0000 |
-0.7071 -0.7071 -0.0000 |
Second axis |
Spatial dependence of Young's modulus
Young's modulus in (xy) plane
Young's modulus in (xz) plane
Young's modulus in (yz) plane
Spatial dependence of linear compressibility
linear compressibility in (xy) plane
linear compressibility in (xz) plane
linear compressibility in (yz) plane
Spatial dependence of shear modulus
Shear modulus in (xy) plane
Shear modulus in (xz) plane
Shear modulus in (yz) plane
Spatial dependence of Poisson's ratio
Poisson's ratio in (xy) plane
Poisson's ratio in (xz) plane
Poisson's ratio in (yz) plane