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 NiSe2 (Materials Project id mp-20901)

       126       53       53        0        0        0  
        53      126       53        0        0        0  
        53       53      126        0        0        0  
         0        0        0       39        0        0  
         0        0        0        0       39        0  
         0        0        0        0        0       39  

Average properties

Averaging schemeBulk modulusYoung's modulusShear modulusPoisson's ratio
VoigtKV = 77.333 GPaEV = 97.956 GPaGV = 38 GPaνV = 0.28889
ReussKR = 77.333 GPaER = 97.867 GPaGR = 37.96 GPaνR = 0.28908
HillKH = 77.333 GPaEH = 97.911 GPaGH = 37.98 GPaνH = 0.28898

Eigenvalues of the stiffness matrix

λ1 λ2 λ3 λ4 λ5 λ6
39 GPa 39 GPa 39 GPa 73 GPa 73 GPa 232 GPa

Variations of the elastic moduli

Young's modulusLinear compressibility Shear modulusPoisson's ratio
EminEmax βminβmaxGminGmax νminνmax
Value 94.615 GPa 100.16 GPa 4.3103 TPa–1 4.3103 TPa–1 36.5 GPa 39 GPa0.265580.30892Value
Anisotropy 1.059 1.0000 1.068 1.1632Anisotropy
Axis 1.0000
0.0000
0.0000
0.5774
0.5774
0.5773
0.0000
0.0000
1.0000
0.7934
0.0000
0.6088
0.7071
-0.0003
0.7071
0.0000
0.0000
1.0000
0.7071
-0.0002
0.7071
0.7071
-0.0005
0.7071
Axis
0.7071
-0.0005
-0.7071
-0.7660
0.6428
-0.0000
0.7071
-0.0006
-0.7071
0.0004
1.0000
0.0003
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