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 Fe3Se4 (Materials Project id mp-2780)

       140       77       58        0        5        0  
        77      141       49        0        9        0  
        58       49      154        0       12        0  
         0        0        0       53        0        3  
         5        9       12        0       69        0  
         0        0        0        3        0       62  

Average properties

Averaging scheme	Bulk modulus	Young's modulus	Shear modulus	Poisson's ratio
Voigt	KV = 89.222 GPa	EV = 133.83 GPa	GV = 53.533 GPa	νV = 0.25
Reuss	KR = 87.94 GPa	ER = 125.04 GPa	GR = 49.501 GPa	νR = 0.26302
Hill	KH = 88.581 GPa	EH = 129.46 GPa	GH = 51.517 GPa	νH = 0.25643

Eigenvalues of the stiffness matrix

λ1	λ2	λ3	λ4	λ5	λ6
52.092 GPa	60.754 GPa	62.908 GPa	69.393 GPa	104.9 GPa	268.95 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	90.704 GPa	160.55 GPa	2.8841 TPa–1	4.5433 TPa–1	31.448 GPa	68.695 GPa	0.025243	0.54358	Value
Anisotropy	1.77		1.5753		2.184		21.5342		Anisotropy
Axis	0.9997 -0.0000 0.0253	0.5819 0.4674 0.6656	-0.8560 0.0000 -0.5170	-0.5170 0.0000 0.8560	-0.7061 0.7071 -0.0373	0.0703 0.0000 -0.9975	0.6586 -0.0001 0.7525	0.7883 0.0001 0.6153	Axis
					-0.7061 -0.7071 -0.0373	-0.9975 -0.0000 -0.0703	0.7525 0.0000 -0.6586	-0.0000 1.0000 -0.0001	Second axis

Spatial dependence of Young's modulus

[[140.0, 77.0, 58.0, 0.0, 5.0, 0.0], [77.0, 141.0, 49.0, 0.0, 9.0, 0.0], [58.0, 49.0, 154.0, 0.0, 12.0, 0.0], [0.0, 0.0, 0.0, 53.0, 0.0, 3.0], [5.0, 9.0, 12.0, 0.0, 69.0, 0.0], [0.0, 0.0, 0.0, 3.0, 0.0, 62.0]] Fe3Se4 (Materials Project id <a href="https://www.materialsproject.org/materials/mp-2780" target="_blank">mp-2780</a>) young

Spatial dependence of linear compressibility

[[140.0, 77.0, 58.0, 0.0, 5.0, 0.0], [77.0, 141.0, 49.0, 0.0, 9.0, 0.0], [58.0, 49.0, 154.0, 0.0, 12.0, 0.0], [0.0, 0.0, 0.0, 53.0, 0.0, 3.0], [5.0, 9.0, 12.0, 0.0, 69.0, 0.0], [0.0, 0.0, 0.0, 3.0, 0.0, 62.0]] Fe3Se4 (Materials Project id <a href="https://www.materialsproject.org/materials/mp-2780" target="_blank">mp-2780</a>) lc

Spatial dependence of shear modulus

[[140.0, 77.0, 58.0, 0.0, 5.0, 0.0], [77.0, 141.0, 49.0, 0.0, 9.0, 0.0], [58.0, 49.0, 154.0, 0.0, 12.0, 0.0], [0.0, 0.0, 0.0, 53.0, 0.0, 3.0], [5.0, 9.0, 12.0, 0.0, 69.0, 0.0], [0.0, 0.0, 0.0, 3.0, 0.0, 62.0]] Fe3Se4 (Materials Project id <a href="https://www.materialsproject.org/materials/mp-2780" target="_blank">mp-2780</a>) shear

Spatial dependence of Poisson's ratio

[[140.0, 77.0, 58.0, 0.0, 5.0, 0.0], [77.0, 141.0, 49.0, 0.0, 9.0, 0.0], [58.0, 49.0, 154.0, 0.0, 12.0, 0.0], [0.0, 0.0, 0.0, 53.0, 0.0, 3.0], [5.0, 9.0, 12.0, 0.0, 69.0, 0.0], [0.0, 0.0, 0.0, 3.0, 0.0, 62.0]] Fe3Se4 (Materials Project id <a href="https://www.materialsproject.org/materials/mp-2780" target="_blank">mp-2780</a>) poisson

Code version: 2020.07.26 (running on Python 3.7.2)