crystal structuresdensity functional theoryelectronic structuresfirst-principles calculationsinorganic materialstopological modelingCsCl-type materials have many outstanding characteristics, i.e. simple in structure, ease of synthesis and good stability at room temperature, thus are an excellent choice for ...
Crystal growth of CsCl-type Yb_(0.24)Sn_(0.76)Ru The Yb-Ru-Sn ternary system was investigated and a new material, Yb_(0.24)Sn_(0.76)Ru, with a simple cubic crystal structure, was discovered. Yb_(0.24)Sn_(... T Klimczuk,C Wang,Q Xu,... - 《Journal of Crystal Growth》 被引量...
vacancies (crystal)/ A6170B Interstitials and vacanciesThe equilibrium distribution of vacancies in an L2 0 superlattice (CsCl-structure) has been discussed recently by several authors employing the Bragg-Williams (B-W) approximation for long-range order (LRO). For small vacancy concentrations the ...
Crystal System Cubic Lattice Type Primitive Space Group Pm3m, No. 221 Cell Parameters a = 4.123 Å, Z=1 Atomic Positions Cl: 0, 0, 0 Cs: 0.5, 0.5, 0.5(can interchange if desired) Density 3.99 Melting Point 646 degrees C Alternate Names none IsostructuralCompounds NH4X, TlX (X = ha...
Single crystal growth of Pb5(PxAs1xO4)3Cl solid solution with apatite type structure Individual euhedral crystals consist of a hexagonal prism shape topped by a hexagonal pyramid, elongate [0 0 1] with a length-to-width ratio of ... Masaoka, M,Kyono, A,Hatta, T,... - 《Journal of ...
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Twelve rare-earth ruthenium indides were synthesized by a two-step reaction and their crystal structures were determined by single-crystal X-ray diffraction. R3Ru1-xIn3 (Pbam, oP28) and R16Ru5In14 (P2/m, mP35) crystallize with new structure types whereas R39Ru12-xIn35 (Pbam, oP172) ...
Fig. 1. (a–b) Selected bulk BZ and its projections onto the (0 0 1) surface; (c–e) Three types of crossing points (CPs); (f) crystal structure of CsCl type TiOs. Based on first principles, we predict that TiOs alloy with the CsCl type structure is a TNLS with three type ...
Crystal structure of the gallium-rich intermetallic compound Sm2Ru5Ga9 with a new superstructure of the CsCl-typeHumananimal relationshipsGa9Ru5Sm2, tetragonal, Ir/mmm (No. 139), a = 6.163(1) Angstrom, c = 13.519(3) Angstrom, V = 513.5 Angstrom(3), Z = 2, R-gt(F) = 0.017, wR(...
In reviewing the literature that concerns the CsCl-type intermetallic compound ${mathrm{Ti}}_{2}mathrm{AlMo}$ (B2), the question arises if this compound is... PR Alonso,GH Rubiolo - 《Physical Review B》 被引量: 2发表: 0年 加载更多来源...