SOLOKHA P.

We present a machine learning approach for evaluating thermodynamic properties within model compositional/configurational spaces (CCSs) of complex intermetallics with Mackay-type building units. Recently, by performing high-throughput density functional theory calculations, we determine and analyze the formation energies for the recently...

Investigations of the solid solution of CeCu5-xZnx composition (CaCu5 structure type) are presented in this article. We refined the XPD patterns for the series of alloys of the CeCu 5-CeZn5 pseudobinary system. The crystal structure of this solid solution was determined by means of the single crystal and powder X-ray methods. Besides, the limit...

Gold intermetallic chemistry is very rich, covering different classes of compounds ranging from the Hume-Rothery to Zintl phases to polar intermetallics to quasicrystals. Au's relativistic effects are frequently mentioned as responsible for the peculiar structural and physical properties of its compounds, nonetheless the aspects of chemical...

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Single crystals of the MgZn2Ce alloy (magnesium dizinc cerium) were synthesized by a two-step method which couples the thermal treatment of pressed pellets of the pure elements with subsequent arc melting. The compound crystallizes in a Heusler-type (MnCu2Al) structure in the space group Fm m, with one Zn site (site symmetry 3m), one Ce and one...

The new intermetallic compound Eu2Pd2Sn has been investigated. A single crystal was selected from the alloy and was analyzed by single-crystal X-ray diffraction, revealing that this compound possesses the noncentrosymmetric Ca2Pd2Ge structure type being, so far, the only rare-earth-based representative. Bonding analysis, performed on the basis...

Icosa-cerium nona-deca-magnesium henocta-conta-zinc, Ce20Mg19Zn81, synthesized by fritting of the pure elements with subsequent arc melting, crystallizes with an unusually large cubic unit cell [space group F 3m, a = 21.1979 (8) Å] and represents a new structure type among the technologically important family of ternary rare earth-transition...

The isothermal section of the Ce-Cu-Zn phase diagram was constructed at 200 °C over the whole concentration range as a result of X-ray powder diffraction, wavelength dispersive spectrometry and electron probe microanalysis. The existence of one new ternary compound Ce2Cu 5-5.7Zn2-1.3 was observed at this temperature and its crystal structure...

A comparative chemical bonding analysis for the germanides La 2 MGe 6 (M=Li, Mg, Al, Zn, Cu, Ag, Pd) and Y 2 PdGe 6 is presented, together with the crystal structure determination for M=Li, Mg, Cu, Ag. The studied compounds adopt the two closely related structure types oS72-Ce 2 (Ga 0.1 Ge 0.9 ) 7 and mS36-La 2 AlGe 6 , containing zigzag chains...

Organic-inorganic Pb-free layered perovskites are efficient broadband emitters and thus are promising materials for lighting applications. However, their synthetic protocols require a controlled atmosphere, high temperature, and long preparation time. This hinders the potential tunability of their emission through organic cations, as is instead...