Materials Data on AlV3 by Materials Project
V3Al is Tungsten-derived structured and crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are two inequivalent V sites. In the first V site, V is bonded in a distorted body-centered cubic geometry to six V and two equivalent Al atoms. There are two shorter (2.57 Å) and four longer (2.64 Å) V–V bond lengths. Both V–Al bond lengths are 2.67 Å. In the second V site, V is bonded in a distorted body-centered cubic geometry to eight V atoms. All V–V bond lengths are 2.64 Å. Al is bonded in a distorted body-centered cubic geometry to four equivalent V and four equivalent Al atoms. All Al–Al bond lengths are 2.64 Å.
- 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:
- 1726652
- Report Number(s):
- mp-1228813
- Country of Publication:
- United States
- Language:
- English
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