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 ZnO (Materials Project id mp-13161)
408 31 31 0 0 0 31 408 31 0 0 0 31 31 408 0 0 0 0 0 0 -60 0 0 0 0 0 0 -60 0 0 0 0 0 0 -60
Average properties
Averaging scheme | Bulk modulus | Young's modulus | Shear modulus | Poisson's ratio |
---|---|---|---|---|
Voigt | KV = 156.67 GPa | EV = 109.06 GPa | GV = 39.4 GPa | νV = 0.38398 |
Reuss | KR = 156.67 GPa | ER = -521.71 GPa | GR = -126.94 GPa | νR = 1.055 |
Hill | KH = 156.67 GPa | EH = -144.79 GPa | GH = -43.768 GPa | νH = 0.65403 |
Eigenvalues of the stiffness matrix
λ1 | λ2 | λ3 | λ4 | λ5 | λ6 |
---|---|---|---|---|---|
-60 GPa | -60 GPa | -60 GPa | 377 GPa | 377 GPa | 470 GPa |
Stiffness matrix is not definite positive, crystal is mechanically unstable
No further analysis will be performed.
No further analysis will be performed.