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Table 5-2: Elastic constants (in GPa) determined from the ab initio calculations with cell internal relaxations for pure
Zr (), Zr2H () and ZrH () phases. Values of elastic constants in parentheses for Zr were obtained
experimentally at T = 4 K.
Zr () Zr2H () ZrH ()
C11 142 (155) 155 177
C12 62 (67) 84 93
C13 64 (65) 66 66
C33 164 (172) 186 227
C44 29 (36) 22 32
C14 0 –23 12
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