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 Li2CuS2 (Materials Project id mp-752881)

        65       27       31        0        2        0  
        27      121       34        0        6        0  
        31       34       53        0       20        0  
         0        0        0       13        0        7  
         2        6       20        0       24        0  
         0        0        0        7        0       12  

Average properties

Averaging scheme	Bulk modulus	Young's modulus	Shear modulus	Poisson's ratio
Voigt	KV = 47 GPa	EV = 51.624 GPa	GV = 19.6 GPa	νV = 0.31694
Reuss	KR = 34.734 GPa	ER = 29.961 GPa	GR = 11.045 GPa	νR = 0.35624
Hill	KH = 40.867 GPa	EH = 40.861 GPa	GH = 15.323 GPa	νH = 0.33336

Eigenvalues of the stiffness matrix

λ1	λ2	λ3	λ4	λ5	λ6
5.4822 GPa	9.4628 GPa	19.518 GPa	38.119 GPa	62.555 GPa	152.86 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	15.887 GPa	96.122 GPa	0.24669 TPa–1	26.594 TPa–1	5.4822 GPa	34.12 GPa	-0.012232	0.97556	Value
Anisotropy	6.05		107.8037		6.224		∞		Anisotropy
Axis	-0.3398 0.3612 0.8684	0.0000 1.0000 0.0000	0.9150 -0.0000 0.4035	-0.4034 -0.0000 0.9150	0.7318 -0.0003 -0.6815	-0.4600 0.7071 -0.5370	-0.8949 0.2799 0.3475	-0.9314 -0.0000 -0.3641	Axis
					-0.0001 1.0000 -0.0004	-0.4600 -0.7071 -0.5370	-0.4347 -0.3712 -0.8205	0.3641 -0.0001 -0.9314	Second axis

Spatial dependence of Young's modulus

[[65.0, 27.0, 31.0, 0.0, 2.0, 0.0], [27.0, 121.0, 34.0, 0.0, 6.0, 0.0], [31.0, 34.0, 53.0, 0.0, 20.0, 0.0], [0.0, 0.0, 0.0, 13.0, 0.0, 7.0], [2.0, 6.0, 20.0, 0.0, 24.0, 0.0], [0.0, 0.0, 0.0, 7.0, 0.0, 12.0]] Li2CuS2 (Materials Project id <a href="https://www.materialsproject.org/materials/mp-752881" target="_blank">mp-752881</a>) young

Spatial dependence of linear compressibility

[[65.0, 27.0, 31.0, 0.0, 2.0, 0.0], [27.0, 121.0, 34.0, 0.0, 6.0, 0.0], [31.0, 34.0, 53.0, 0.0, 20.0, 0.0], [0.0, 0.0, 0.0, 13.0, 0.0, 7.0], [2.0, 6.0, 20.0, 0.0, 24.0, 0.0], [0.0, 0.0, 0.0, 7.0, 0.0, 12.0]] Li2CuS2 (Materials Project id <a href="https://www.materialsproject.org/materials/mp-752881" target="_blank">mp-752881</a>) lc

Spatial dependence of shear modulus

[[65.0, 27.0, 31.0, 0.0, 2.0, 0.0], [27.0, 121.0, 34.0, 0.0, 6.0, 0.0], [31.0, 34.0, 53.0, 0.0, 20.0, 0.0], [0.0, 0.0, 0.0, 13.0, 0.0, 7.0], [2.0, 6.0, 20.0, 0.0, 24.0, 0.0], [0.0, 0.0, 0.0, 7.0, 0.0, 12.0]] Li2CuS2 (Materials Project id <a href="https://www.materialsproject.org/materials/mp-752881" target="_blank">mp-752881</a>) shear

Spatial dependence of Poisson's ratio

[[65.0, 27.0, 31.0, 0.0, 2.0, 0.0], [27.0, 121.0, 34.0, 0.0, 6.0, 0.0], [31.0, 34.0, 53.0, 0.0, 20.0, 0.0], [0.0, 0.0, 0.0, 13.0, 0.0, 7.0], [2.0, 6.0, 20.0, 0.0, 24.0, 0.0], [0.0, 0.0, 0.0, 7.0, 0.0, 12.0]] Li2CuS2 (Materials Project id <a href="https://www.materialsproject.org/materials/mp-752881" target="_blank">mp-752881</a>) poisson

Code version: 2020.07.26 (running on Python 3.7.2)