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T2-Al2MgC2 was synthesized from the elements in a Mg-Al melt at 1000°C using sealed Ta crucibles. Single crystals of T2-Al2MgC2 were extracted by evaporating the Mg-Al matrix. The crystal structure of T2-Al2MgC2 was refined for the first time on the basis of single-crystal X-ray diffraction. The crystal is trigonal (space group P-3m1, Z=1) with lattice parameters of a=3.3767(11) Å, c=5.807(2) Å and V=57.34(5) Å 3. Based on the refined crystal structure, DFT calculations were conducted to evaluate the thermodynamic properties and the electronic structure of the phase. The heat of formation of T2-Al2MgC2 was calculated to be-23.6 kJ/moles of atoms at 298K. The heat capacity of T2-Al2MgC2 was measured by DSC from 300 to 871K and calculated by DFT from 0 to 1000K. Based on the calculated heat capacity, the entropy of formation of the phase at 298K was determined to be 70.0 J/mol/K. The band structure and the electronic density of state of T2-Al2MgC2 was calculated leading to an indirect band gap value of 1.73 eV.
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