Figure 1
From: Hf/Sb co-doping induced a high thermoelectric performance of ZrNiSn: First-principles calculation

(a) The crystal structure of half-Heusler ZrNiSn with the space group of \(F\bar{4}3\,m\), no. 216. Corner sharing of (b) SnNi4 and (c) ZrNi4 tetrahedra. (d) Local structure of Hf0.5Zr0.5NiSn. (e) Local structure of Hf0.5Zr0.5NiSn0.98Sb0.02.