Materials Data on KHfNi by Materials Project

Dataset · Tue Jul 21 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1279049· OSTI ID:1279049

The Materials Project

KHfNi is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. K is bonded in a body-centered cubic geometry to four equivalent Hf and four equivalent Ni atoms. All K–Hf bond lengths are 2.81 Å. All K–Ni bond lengths are 2.81 Å. Hf is bonded in a 4-coordinate geometry to four equivalent K and six equivalent Ni atoms. All Hf–Ni bond lengths are 3.25 Å. Ni is bonded to four equivalent K and six equivalent Hf atoms to form a mixture of distorted face and corner-sharing NiK4Hf6 tetrahedra.

• Research Organization: Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES)
• Contributing Organization: MIT; UC Berkeley; Duke; U Louvain
• DOE Contract Number: AC02-05CH11231; EDCBEE
• OSTI ID: 1279049
• Report Number(s): mp-631296
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
KHfNi
Hf-K-Ni