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We have uncovered two inherently laminated transition metal carbides, (Cr2/3Sc1/3)2AlC and (Cr2/3Y1/3)2AlC, which display in-plane chemical order in the carbide sheet and a Kagomé pattern in the Al layer. The phases belong to the most recently discovered family of so-called i-MAX phases. The materials were synthesized and the crystal structures were evaluated by means of analytical high resolution scanning transmission electron microscopy, selected area electron diffraction, and X-ray diffraction Rietveld refinement. An orthorhombic structure of space group Cmcm (#63) and a monoclinic structure of space group C2/c (#15) are solved. The compounds were investigated by first-principles calculations based on density functional theory, suggesting close to degenerate anti-ferro- and ferromagnetic spin states, dynamical and mechanical stability, and a Voigt bulk modulus in the range 134–152 GPa.
Lu et al. (Tue,) studied this question.