Table 3: The calculated and experimental elastic constants C ij (GPa), bulk modulus B (GPa), shear modulus G (GPa), Young' modulus E (GPa), and Possion's ratio ν of S, T1, σ and Al.

S T1 σ Al
TW Cal [5] TW TW TW Cal [23] Exp
C 11 129.8 115.9 174.2 195.7 120.1 106.1 124
C 12 42.4 35.3 73.8 77 62.3 68.6 61.9
C 13 54.9 46.8 32.9 - - - -
C 22 175.2 174.1 - - - - -
C 23 37.2 38.7 - - - - -
C 33 132.7 153.1 156.7 - - - -
C 44 47.9 50.9 21.6 57.2 34.3 33.6 31.6
C 55 70.7 70.2 - - - - -
C 66 36.6 26.6 50.2 - - - -
B V 78.5 78.5 87.1 - - - -
B R 78 74.4 85.4 - - - -
B 78.3 75.2 86.3 116.6 81.6 81.1 82.6
G V 51.2 51 43 - - - -
G R 59.2 45.1 37.4 - - - -
G 55.2 48.1 40.2 58.1 32 26.6 31.4
E 134.1 118.9 104.4 149.4 85 71.9 83.6
G/B 0.71 0.64 0.47 0.5 0.39 0.33 0.39
ν 0.21 0.24 0.3 0.29 0.33 0.35 0.33