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 Ni3Se2 (Materials Project id mp-2056)

       177       92       61        5        0        0  
        92      177       61       -5        0        0  
        61       61      172        0        0        0  
         5       -5        0       45        0        0  
         0        0        0        0       45        5  
         0        0        0        0        5       42  

Average properties

Averaging schemeBulk modulusYoung's modulusShear modulusPoisson's ratio
VoigtKV = 106 GPaEV = 123.3 GPaGV = 47.2 GPaνV = 0.30613
ReussKR = 105.22 GPaER = 119.78 GPaGR = 45.709 GPaνR = 0.31027
HillKH = 105.61 GPaEH = 121.54 GPaGH = 46.455 GPaνH = 0.30819

Eigenvalues of the stiffness matrix

λ1 λ2 λ3 λ4 λ5 λ6
38.28 GPa 43.787 GPa 48.72 GPa 86.213 GPa 121.53 GPa 319.47 GPa

Variations of the elastic moduli

Young's modulusLinear compressibility Shear modulusPoisson's ratio
EminEmax βminβmaxGminGmax νminνmax
Value 104.35 GPa 144.33 GPa 2.8589 TPa–1 3.7861 TPa–1 38.28 GPa 55.965 GPa0.168420.48422Value
Anisotropy 1.383 1.3243 1.462 2.8751Anisotropy
Axis 0.7218
0.4248
-0.5464
0.0000
0.0000
1.0000
-0.3940
0.9191
0.0000
0.0000
0.0000
1.0000
1.0000
0.0004
0.0002
0.0005
0.6025
-0.7981
-0.5072
0.8618
0.0047
0.5153
0.8570
0.0014
Axis
-0.0002
0.8023
-0.5969
-0.0001
-0.7981
-0.6025
-0.2322
-0.1314
-0.9637
-0.8259
0.4970
-0.2664
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