TiCoSb C1b control (corrected) · F-43m crystal structure · Files on Ouro
Overview
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Structure
Formula
TiCoSb
Space group
F-43m (216)
Crystal system
Cubic
Atoms per cell
12
Lattice a, b, c
5.880 Å5.880 Å5.880 Å
Angles α, β, γ
90.00°90.00°90.00°
Volume
203.30 ų
Density
7.47 g/cm³
Attribution
TiCoSb half-Heusler in the correct C1b ordering (F-43m, a=5.88 Å): Ti and Sb on the rock-salt 4a/4b sites, Co on 4c, 4d empty. Known-answer control for the Thermoelectrics API: PBE gap ~1.0 eV, |S| > 200 µV/K at 1e20 cm⁻³.