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 SnP3 (Materials Project id mp-7541)
101 28 29 14 0 0 28 101 29 -14 0 0 29 29 43 0 0 0 14 -14 0 27 0 0 0 0 0 0 27 14 0 0 0 0 14 37
Average properties
Averaging scheme | Bulk modulus | Young's modulus | Shear modulus | Poisson's ratio |
---|---|---|---|---|
Voigt | KV = 46.333 GPa | EV = 71.571 GPa | GV = 28.8 GPa | νV = 0.24255 |
Reuss | KR = 39.04 GPa | ER = 54.595 GPa | GR = 21.546 GPa | νR = 0.26693 |
Hill | KH = 42.687 GPa | EH = 63.113 GPa | GH = 25.173 GPa | νH = 0.25358 |
Eigenvalues of the stiffness matrix
λ1 | λ2 | λ3 | λ4 | λ5 | λ6 |
---|---|---|---|---|---|
17.134 GPa | 19.652 GPa | 26.578 GPa | 46.866 GPa | 80.348 GPa | 145.42 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 | 29.961 GPa | 105.03 GPa | 3.6223 TPa–1 | 18.37 TPa–1 | 15.104 GPa | 46.617 GPa | 0.017172 | 0.7242 | Value |
Anisotropy | 3.506 | 5.0714 | 3.086 | 42.1741 | Anisotropy | ||||
Axis | 0.0000 0.0000 1.0000 |
-0.7962 0.4623 0.3904 |
0.9201 0.3917 0.0000 |
0.0000 0.0000 1.0000 |
-0.4822 0.2605 -0.8364 |
-0.7063 0.4047 -0.5809 |
-0.5056 0.8628 0.0031 |
1.0000 0.0002 0.0000 |
Axis |
0.7253 -0.4168 -0.5480 |
-0.4966 -0.8680 -0.0009 |
-0.7398 -0.4317 -0.5161 |
-0.0001 0.5226 0.8526 |
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