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 PtN2 (Materials Project id mp-570155)

       470       91      243        0        0        0  
        91      672       86        0        0        0  
       243       86      477        0        0        0  
         0        0        0      106        0        0  
         0        0        0        0      250        0  
         0        0        0        0        0      143  

Average properties

Averaging scheme	Bulk modulus	Young's modulus	Shear modulus	Poisson's ratio
Voigt	KV = 273.22 GPa	EV = 442.23 GPa	GV = 179.73 GPa	νV = 0.23024
Reuss	KR = 272.97 GPa	ER = 387.29 GPa	GR = 153.26 GPa	νR = 0.26353
Hill	KH = 273.1 GPa	EH = 415.12 GPa	GH = 166.49 GPa	νH = 0.24666

Eigenvalues of the stiffness matrix

λ1	λ2	λ3	λ4	λ5	λ6
106 GPa	143 GPa	230.43 GPa	250 GPa	567.2 GPa	821.37 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	288.36 GPa	650.06 GPa	1.1581 TPa–1	1.2591 TPa–1	106 GPa	274.8 GPa	0.064691	0.5055	Value
Anisotropy	2.254		1.0872		2.592		7.8140		Anisotropy
Axis	-0.0000 0.5988 0.8009	0.0000 1.0000 0.0000	0.0000 1.0000 0.0000	1.0000 0.0000 0.0000	-0.0004 -0.0002 1.0000	0.4930 0.7071 0.5069	-0.5826 0.6513 -0.4863	0.0000 0.0000 1.0000	Axis
					-0.0000 1.0000 0.0002	-0.4930 0.7071 -0.5069	-0.7525 -0.2061 0.6255	1.0000 0.0000 -0.0000	Second axis

Spatial dependence of Young's modulus

[[470.0, 91.0, 243.0, 0.0, 0.0, 0.0], [91.0, 672.0, 86.0, 0.0, 0.0, 0.0], [243.0, 86.0, 477.0, 0.0, 0.0, 0.0], [0.0, 0.0, 0.0, 106.0, 0.0, 0.0], [0.0, 0.0, 0.0, 0.0, 250.0, 0.0], [0.0, 0.0, 0.0, 0.0, 0.0, 143.0]] PtN2 (Materials Project id <a href="https://www.materialsproject.org/materials/mp-570155" target="_blank">mp-570155</a>) young

Spatial dependence of linear compressibility

[[470.0, 91.0, 243.0, 0.0, 0.0, 0.0], [91.0, 672.0, 86.0, 0.0, 0.0, 0.0], [243.0, 86.0, 477.0, 0.0, 0.0, 0.0], [0.0, 0.0, 0.0, 106.0, 0.0, 0.0], [0.0, 0.0, 0.0, 0.0, 250.0, 0.0], [0.0, 0.0, 0.0, 0.0, 0.0, 143.0]] PtN2 (Materials Project id <a href="https://www.materialsproject.org/materials/mp-570155" target="_blank">mp-570155</a>) lc

Spatial dependence of shear modulus

[[470.0, 91.0, 243.0, 0.0, 0.0, 0.0], [91.0, 672.0, 86.0, 0.0, 0.0, 0.0], [243.0, 86.0, 477.0, 0.0, 0.0, 0.0], [0.0, 0.0, 0.0, 106.0, 0.0, 0.0], [0.0, 0.0, 0.0, 0.0, 250.0, 0.0], [0.0, 0.0, 0.0, 0.0, 0.0, 143.0]] PtN2 (Materials Project id <a href="https://www.materialsproject.org/materials/mp-570155" target="_blank">mp-570155</a>) shear

Spatial dependence of Poisson's ratio

[[470.0, 91.0, 243.0, 0.0, 0.0, 0.0], [91.0, 672.0, 86.0, 0.0, 0.0, 0.0], [243.0, 86.0, 477.0, 0.0, 0.0, 0.0], [0.0, 0.0, 0.0, 106.0, 0.0, 0.0], [0.0, 0.0, 0.0, 0.0, 250.0, 0.0], [0.0, 0.0, 0.0, 0.0, 0.0, 143.0]] PtN2 (Materials Project id <a href="https://www.materialsproject.org/materials/mp-570155" target="_blank">mp-570155</a>) poisson

Code version: 2020.07.26 (running on Python 3.7.2)