U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on V2GaFe by Materials Project
Abstract
V2FeGa crystallizes in the orthorhombic Cmm2 space group. The structure is two-dimensional and consists of one V2FeGa sheet oriented in the (0, 0, 1) direction. there are two inequivalent V sites. In the first V site, V is bonded in a 8-coordinate geometry to four equivalent Ga atoms. There are two shorter (2.65 Å) and two longer (2.98 Å) V–Ga bond lengths. In the second V site, V is bonded in a 2-coordinate geometry to four equivalent Fe atoms. There are two shorter (2.48 Å) and two longer (2.83 Å) V–Fe bond lengths. Fe is bonded in a 12-coordinate geometry to four equivalent V, four equivalent Fe, and four equivalent Ga atoms. All Fe–Fe bond lengths are 2.60 Å. There are two shorter (2.51 Å) and two longer (2.85 Å) Fe–Ga bond lengths. Ga is bonded in a 12-coordinate geometry to four equivalent V, four equivalent Fe, and four equivalent Ga atoms. All Ga–Ga bond lengths are 2.60 Å.
- Publication Date:
- Other Number(s):
- mp-1216782
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Fe-Ga-V; V2GaFe; crystal structure
- OSTI Identifier:
- 1728755
- DOI:
- https://doi.org/10.17188/1728755
Citation Formats
Materials Data on V2GaFe by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1728755.
Materials Data on V2GaFe by Materials Project. United States. doi:https://doi.org/10.17188/1728755
2020.
"Materials Data on V2GaFe by Materials Project". United States. doi:https://doi.org/10.17188/1728755. https://www.osti.gov/servlets/purl/1728755. Pub date:Fri Jun 05 04:00:00 UTC 2020
@article{osti_1728755,
title = {Materials Data on V2GaFe by Materials Project},
abstractNote = {V2FeGa crystallizes in the orthorhombic Cmm2 space group. The structure is two-dimensional and consists of one V2FeGa sheet oriented in the (0, 0, 1) direction. there are two inequivalent V sites. In the first V site, V is bonded in a 8-coordinate geometry to four equivalent Ga atoms. There are two shorter (2.65 Å) and two longer (2.98 Å) V–Ga bond lengths. In the second V site, V is bonded in a 2-coordinate geometry to four equivalent Fe atoms. There are two shorter (2.48 Å) and two longer (2.83 Å) V–Fe bond lengths. Fe is bonded in a 12-coordinate geometry to four equivalent V, four equivalent Fe, and four equivalent Ga atoms. All Fe–Fe bond lengths are 2.60 Å. There are two shorter (2.51 Å) and two longer (2.85 Å) Fe–Ga bond lengths. Ga is bonded in a 12-coordinate geometry to four equivalent V, four equivalent Fe, and four equivalent Ga atoms. All Ga–Ga bond lengths are 2.60 Å.},
doi = {10.17188/1728755},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {6}
}