Materials Data on TiFeSe by Materials Project

Dataset · Mon Jul 20 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1313387· OSTI ID:1313387

The Materials Project

TiFeSe is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ti is bonded in a 10-coordinate geometry to four equivalent Fe and six equivalent Se atoms. All Ti–Fe bond lengths are 2.43 Å. All Ti–Se bond lengths are 2.81 Å. Fe is bonded in a body-centered cubic geometry to four equivalent Ti and four equivalent Se atoms. All Fe–Se bond lengths are 2.43 Å. Se is bonded in a 4-coordinate geometry to six equivalent Ti and four equivalent Fe atoms.

• 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: 1313387
• Report Number(s): mp-961660
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
TiFeSe
Fe-Se-Ti