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 Ba2MgH6 (Materials Project id mp-643370)

        83       15       19       -8        0        0  
        15       83       19        8        0        0  
        19       19       70        0        0        0  
        -8        8        0       29        0        0  
         0        0        0        0       29       -8  
         0        0        0        0       -8       34  

Average properties

Averaging schemeBulk modulusYoung's modulusShear modulusPoisson's ratio
VoigtKV = 38 GPaEV = 72.373 GPaGV = 30.6 GPaνV = 0.18257
ReussKR = 37.889 GPaER = 68.873 GPaGR = 28.768 GPaνR = 0.19704
HillKH = 37.944 GPaEH = 70.633 GPaGH = 29.684 GPaνH = 0.18975

Eigenvalues of the stiffness matrix

λ1 λ2 λ3 λ4 λ5 λ6
23.118 GPa 25.956 GPa 39.882 GPa 53.701 GPa 71.044 GPa 114.3 GPa

Variations of the elastic moduli

Young's modulusLinear compressibility Shear modulusPoisson's ratio
EminEmax βminβmaxGminGmax νminνmax
Value 57.597 GPa 87.48 GPa 8.3089 TPa–1 9.7752 TPa–1 23.118 GPa 39.882 GPa0.0301780.35732Value
Anisotropy 1.519 1.1765 1.725 11.8403Anisotropy
Axis 0.6878
0.3971
0.6076
-0.0000
0.9121
0.4099
-0.8492
0.5281
0.0000
0.0000
0.0000
1.0000
-0.0000
0.5924
0.8057
-0.5000
0.8660
-0.0000
-0.5000
0.8660
0.0000
-0.5000
0.8660
-0.0000
Axis
-1.0000
0.0000
-0.0000
-0.6978
-0.4028
-0.5923
-0.6738
-0.3890
0.6283
-0.5441
-0.3141
-0.7780
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