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
Input: stiffness matrix (coefficients in GPa) of PaAs (Materials Project id mp-15694)
284 20 20 0 0 0 20 284 20 0 0 0 20 20 284 0 0 0 0 0 0 26 0 0 0 0 0 0 26 0 0 0 0 0 0 26
Average properties
Averaging scheme | Bulk modulus | Young's modulus | Shear modulus | Poisson's ratio |
---|---|---|---|---|
Voigt | KV = 108 GPa | EV = 169.43 GPa | GV = 68.4 GPa | νV = 0.23853 |
Reuss | KR = 108 GPa | ER = 102.76 GPa | GR = 38.304 GPa | νR = 0.34142 |
Hill | KH = 108 GPa | EH = 137.43 GPa | GH = 53.352 GPa | νH = 0.28792 |
Eigenvalues of the stiffness matrix
λ1 | λ2 | λ3 | λ4 | λ5 | λ6 |
---|---|---|---|---|---|
26 GPa | 26 GPa | 26 GPa | 264 GPa | 264 GPa | 324 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 | 72.206 GPa | 281.37 GPa | 3.0864 TPa–1 | 3.0864 TPa–1 | 26 GPa | 132 GPa | 0.020737 | 0.70554 | Value |
Anisotropy | 3.897 | 1.0000 | 5.077 | 34.0231 | Anisotropy | ||||
Axis | 0.5774 0.5773 -0.5774 |
0.0000 0.0000 1.0000 |
0.4830 0.3706 0.7934 |
0.5000 0.0000 0.8660 |
0.0000 0.0000 1.0000 |
0.7071 0.0001 -0.7071 |
-0.7071 0.0000 0.7071 |
0.7071 -0.0000 -0.7071 |
Axis |
0.1735 0.9848 -0.0000 |
-0.7071 -0.0002 -0.7071 |
-0.0000 -1.0000 -0.0000 |
-0.7071 0.0002 -0.7071 |
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