Materials Data on GaReAs by Materials Project

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

DOI:https://doi.org/10.17188/1279260· OSTI ID:1279260

The Materials Project

ReGaAs is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Re is bonded in a 10-coordinate geometry to four equivalent Ga and six equivalent As atoms. All Re–Ga bond lengths are 2.61 Å. All Re–As bond lengths are 3.01 Å. Ga is bonded in a body-centered cubic geometry to four equivalent Re and four equivalent As atoms. All Ga–As bond lengths are 2.61 Å. As is bonded to six equivalent Re and four equivalent Ga atoms to form a mixture of distorted face and corner-sharing AsGa4Re6 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: 1279260
• Report Number(s): mp-631572
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
GaReAs
As-Ga-Re