Materials Data on HfCuP by Materials Project

Dataset · Thu Jul 23 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1275379· OSTI ID:1275379

HfCuP is Ilmenite-like structured and crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. Hf is bonded in a 6-coordinate geometry to three equivalent Cu and three equivalent P atoms. All Hf–Cu bond lengths are 2.83 Å. All Hf–P bond lengths are 2.50 Å. Cu is bonded in a 4-coordinate geometry to three equivalent Hf and one P atom. The Cu–P bond length is 2.25 Å. P is bonded in a rectangular see-saw-like geometry to three equivalent Hf and one Cu atom.

• Research Organization: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
• Contributing Organization: The Materials Project; MIT; UC Berkeley; Duke; U Louvain
• DOE Contract Number: AC02-05CH11231
• OSTI ID: 1275379
• Report Number(s): mp-569933
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Cu-Hf-P
HfCuP
crystal structure