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 C (Materials Project id mp-606949)
884 155 -1 0 0 0 155 884 -1 0 0 0 -1 -1 7 0 0 0 0 0 0 2 0 0 0 0 0 0 2 0 0 0 0 0 0 365
Average properties
Averaging scheme | Bulk modulus | Young's modulus | Shear modulus | Poisson's ratio |
---|---|---|---|---|
Voigt | KV = 231.22 GPa | EV = 432.39 GPa | GV = 181.93 GPa | νV = 0.18833 |
Reuss | KR = 6.8789 GPa | ER = 10.427 GPa | GR = 4.1796 GPa | νR = 0.24737 |
Hill | KH = 119.05 GPa | EH = 221.47 GPa | GH = 93.056 GPa | νH = 0.18996 |
Eigenvalues of the stiffness matrix
λ1 | λ2 | λ3 | λ4 | λ5 | λ6 |
---|---|---|---|---|---|
2 GPa | 2 GPa | 6.9981 GPa | 365 GPa | 729 GPa | 1039 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 | 5.7083 GPa | 857.42 GPa | 1.1003 TPa–1 | 143.17 TPa–1 | 2 GPa | 365 GPa | -0.00096246 | 0.67376 | Value |
Anisotropy | 150.2 | 130.1250 | 182.5 | ∞ | Anisotropy | ||||
Axis | 0.5487 0.0000 -0.8360 |
0.7071 0.7071 0.0000 |
1.0000 0.0000 0.0000 |
0.0000 0.0000 1.0000 |
0.0000 0.0000 1.0000 |
1.0000 0.0007 0.0000 |
0.0000 0.0000 -1.0000 |
0.7104 0.6373 -0.2986 |
Axis |
1.0000 0.0000 -0.0000 |
-0.0007 1.0000 0.0000 |
0.9397 0.3420 0.0000 |
-0.2221 -0.1995 -0.9544 |
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