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 BaTaS3 (Materials Project id mp-4001)

        77       33       20        0        0        0  
        33       77       20        0        0        0  
        20       20      145        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 = 49.444 GPaEV = 50.685 GPaGV = 19.067 GPaνV = 0.32915
ReussKR = 47.344 GPaER = -8.0893 GPaGR = -2.6462 GPaνR = 0.52848
HillKH = 48.394 GPaEH = 23.312 GPaGH = 8.2102 GPaνH = 0.41971

Eigenvalues of the stiffness matrix

λ1 λ2 λ3 λ4 λ5 λ6
-1 GPa -1 GPa 22 GPa 44 GPa 94.24 GPa 160.76 GPa
Stiffness matrix is not definite positive, crystal is mechanically unstable
No further analysis will be performed.