ELATE: Elastic tensor analysis

Welcome to ELATE, the online tool for analysis of elastic tensors, developed by Romain Gaillac and Fran├žois-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 NiI2 (Materials Project id mp-27638)

        64       21        7        0        0        0  
        21       64        7       -0        0        0  
         7        7        5        0        0        0  
         0       -0        0        1        0        0  
         0        0        0        0        1        0  
         0        0        0        0        0       22  

Average properties

Averaging schemeBulk modulusYoung's modulusShear modulusPoisson's ratio
VoigtKV = 22.556 GPaEV = 29.122 GPaGV = 11.333 GPaνV = 0.28481
ReussKR = 4.8806 GPaER = 5.2681 GPaGR = 1.9953 GPaνR = 0.3201
HillKH = 13.718 GPaEH = 17.207 GPaGH = 6.6643 GPaνH = 0.29095

Eigenvalues of the stiffness matrix

λ1 λ2 λ3 λ4 λ5 λ6
1 GPa 1 GPa 3.7932 GPa 22 GPa 43 GPa 86.207 GPa

Variations of the elastic moduli

Young's modulusLinear compressibility Shear modulusPoisson's ratio
EminEmax βminβmaxGminGmax νminνmax
Value 3.0261 GPa 52.607 GPa -6.1162 TPa–1 217.13 TPa–1 1 GPa 22 GPa0.0384491.1261Value
Anisotropy 17.38 22 29.2890Anisotropy
Axis 0.5679
0.0000
0.8231
0.7071
0.7071
0.0000
1.0000
0.0000
0.0000
0.0000
0.0000
1.0000
0.0000
0.0000
1.0000
1.0000
0.0007
0.0000
0.5751
0.5751
0.5818
0.7071
0.7071
0.0000
Axis
1.0000
0.0000
-0.0000
-0.0007
1.0000
0.0000
-0.7071
0.7071
0.0000
0.0001
-0.0001
-1.0000
Second axis

Spatial dependence of Young's modulus



Young's modulus in (xy) plane

Young's modulus in (xz) plane

Young's modulus in (yz) plane

Spatial dependence of linear compressibility



linear compressibility in (xy) plane

linear compressibility in (xz) plane

linear compressibility in (yz) plane

Spatial dependence of shear modulus



Shear modulus in (xy) plane

Shear modulus in (xz) plane

Shear modulus in (yz) plane

Spatial dependence of Poisson's ratio



Poisson's ratio in (xy) plane

Poisson's ratio in (xz) plane

Poisson's ratio in (yz) plane