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(Color online) Crystal structure of monazite. The distorted tetrahedra represent units, in which the corners are O atoms and P atoms locate inside. La is nine-fold coordinated by O atoms (indexed by No. 1–9).
(Color online) Electronic total density of states of monazite at various shear strains. The inset is the first-principles strain-stress relationship.
Computed second-order elastic constants (in GPa) of monazite, together with theoretical and experimental values of scheelite.
Computed bulk modulus , shear modulus , anisotropic Young’s moduli , and Poisson’s ratio of monazite, together with the experimental data for comparison.
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