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 Fe (Materials Project id mp-568345)
404 -6 -6 0 0 0 -6 404 -6 0 0 0 -6 -6 404 0 0 0 0 0 0 -66 0 0 0 0 0 0 -66 0 0 0 0 0 0 -66
Average properties
Averaging scheme | Bulk modulus | Young's modulus | Shear modulus | Poisson's ratio |
---|---|---|---|---|
Voigt | KV = 130.67 GPa | EV = 114.78 GPa | GV = 42.4 GPa | νV = 0.35359 |
Reuss | KR = 130.67 GPa | ER = -653.78 GPa | GR = -140.06 GPa | νR = 1.3339 |
Hill | KH = 130.67 GPa | EH = -167.34 GPa | GH = -48.831 GPa | νH = 0.71344 |
Eigenvalues of the stiffness matrix
λ1 | λ2 | λ3 | λ4 | λ5 | λ6 |
---|---|---|---|---|---|
-66 GPa | -66 GPa | -66 GPa | 392 GPa | 410 GPa | 410 GPa |
Stiffness matrix is not definite positive, crystal is mechanically unstable
No further analysis will be performed.
No further analysis will be performed.