Materials Data on ScVFe by Materials Project

Dataset · Sat May 02 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1279052· OSTI ID:1279052

The Materials Project

ScVFe is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Sc is bonded in a 4-coordinate geometry to four equivalent V and six equivalent Fe atoms. All Sc–V bond lengths are 2.50 Å. All Sc–Fe bond lengths are 2.89 Å. V is bonded in a body-centered cubic geometry to four equivalent Sc and four equivalent Fe atoms. All V–Fe bond lengths are 2.50 Å. Fe is bonded in a 10-coordinate geometry to six equivalent Sc and four equivalent V 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: 1279052
• Report Number(s): mp-631302
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
ScVFe
Fe-Sc-V