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. 2025 Aug 18;15(36):29129–29141. doi: 10.1039/d5ra04332h

Table 4. The calculated mechanical parameters for KMgX3(X = O, S and Se) compounds.

Compound KMgO3 KMgS3 KMgSe3
G V (GPA) 42.04 9.12 33.26
G R (GPA) 30.22 2.44 32.79
G H (GPA) 36.13 5.79 33.03
B o 87.14 22.66 35.66
Y 108.6 24.14 76.12
B/G 2.41 3.92 1.08
C′′ Cauchy's pressure 17.07 7.45 −19.78
λ Lame's first parameter 59.11 16.58 13.48
μ shear modulus 42.04 9.13 33.26
ν Poisson's ratio 0.29 0.32 0.14
ζ kleinman parameter 0.41 0.37 0.43
A anisotropic ratio 0.30 0.07 1.28
C′ shear constant 72.45 20.51 28.53