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 PrN (Materials Project id mp-1009640)
325 22 22 0 0 0 22 325 22 0 0 0 22 22 325 0 0 0 0 0 0 -68 0 0 0 0 0 0 -68 0 0 0 0 0 0 -68
Average properties
Averaging scheme | Bulk modulus | Young's modulus | Shear modulus | Poisson's ratio |
---|---|---|---|---|
Voigt | KV = 123 GPa | EV = 56.375 GPa | GV = 19.8 GPa | νV = 0.42361 |
Reuss | KR = 123 GPa | ER = -863.75 GPa | GR = -161.73 GPa | νR = 1.6704 |
Hill | KH = 123 GPa | EH = -263.58 GPa | GH = -70.963 GPa | νH = 0.85715 |
Eigenvalues of the stiffness matrix
λ1 | λ2 | λ3 | λ4 | λ5 | λ6 |
---|---|---|---|---|---|
-68 GPa | -68 GPa | -68 GPa | 303 GPa | 303 GPa | 369 GPa |
Stiffness matrix is not definite positive, crystal is mechanically unstable
No further analysis will be performed.
No further analysis will be performed.