Web25 Jan 2024 · Crystal structure prediction is a central problem of theoretical crystallography and materials science, which until mid-2000s was considered intractable. Several methods, based on either energy landscape exploration 1,2 or, more commonly, global optimization 3–8 , largely solved this problem and enabled fully non-empirical computational materials … WebThe quaternary rare-earth phosphides RECuZnP2 (RE=Pr, Nd, Gd–Tm, Lu) have been prepared by reaction of the elements at 900 °C, completing this versatile series which forms for nearly all RE metals. They adopt the trigonal CaAl2Si2-type structure (Pearson symbol hP5, space group P3m1, Z=1), as confirmed by single-crystal X-ray diffraction analysis on …
Crystals, magnetic and electronic properties of a new ThCr2Si2 …
Web3 Dec 2024 · We report the synthesis, crystal structures and physical properties of three quaternary compounds CsLiCrSe2, RbLiCrS2 and CsLiCrS2, which represent the first … Web30 Mar 2024 · Therefore, the X-ray crystal structure was determined, showing the exclusive presence of N-[3-(benzo[d]thiazol-2-yl)-6-bromo-2 H-chromen-2-ylidene]-4-methylbenzenamine (7), an isomer of 6, as the sole product in the solid state; this was unexpected because the C=O moiety of the coumarin framework is usually chemically … moving through the silent crowd
Tetragonality induced superconductivity in anti-ThCr2Si2 type RE …
WebCrystal structure of KFe2Ch2 phases. Some structural parameters (Ch-Ch bond length, Ch-Fe-Ch bond angles, and anion height, see text) are show. So, for iron-pnictides the … WebThe crystal structure and electrical resistance of the structurally-layered EuFe2As2 have been studied up to 70 GPa and down to temperature of 10 K, using a synchrotron x-ray … Web21: Author Henryk Zegota^, Nien Man, Dorothea Schuchmann, Clemens Schulz, Von Sonntag: Requires cookie* Title Acetonylperoxyl Radicals, CH3C 0C H 20 2: A Study on the y … moving through this inc