U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on NbCu3Se4 by Materials Project
Abstract
Cu3NbSe4 is Sulvanite structured and crystallizes in the cubic P-43m space group. The structure is three-dimensional. Nb5+ is bonded to four equivalent Se2- atoms to form NbSe4 tetrahedra that share edges with six equivalent CuSe4 tetrahedra. All Nb–Se bond lengths are 2.47 Å. Cu1+ is bonded to four equivalent Se2- atoms to form CuSe4 tetrahedra that share corners with eight equivalent CuSe4 tetrahedra and edges with two equivalent NbSe4 tetrahedra. All Cu–Se bond lengths are 2.47 Å. Se2- is bonded to one Nb5+ and three equivalent Cu1+ atoms to form a mixture of distorted edge and corner-sharing SeNbCu3 tetrahedra.
- Publication Date:
- Other Number(s):
- mp-4043
- 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; Cu-Nb-Se; NbCu3Se4; crystal structure
- OSTI Identifier:
- 1207789
- DOI:
- https://doi.org/10.17188/1207789
Citation Formats
Materials Data on NbCu3Se4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1207789.
Materials Data on NbCu3Se4 by Materials Project. United States. doi:https://doi.org/10.17188/1207789
2020.
"Materials Data on NbCu3Se4 by Materials Project". United States. doi:https://doi.org/10.17188/1207789. https://www.osti.gov/servlets/purl/1207789. Pub date:Thu Jul 16 04:00:00 UTC 2020
@article{osti_1207789,
title = {Materials Data on NbCu3Se4 by Materials Project},
abstractNote = {Cu3NbSe4 is Sulvanite structured and crystallizes in the cubic P-43m space group. The structure is three-dimensional. Nb5+ is bonded to four equivalent Se2- atoms to form NbSe4 tetrahedra that share edges with six equivalent CuSe4 tetrahedra. All Nb–Se bond lengths are 2.47 Å. Cu1+ is bonded to four equivalent Se2- atoms to form CuSe4 tetrahedra that share corners with eight equivalent CuSe4 tetrahedra and edges with two equivalent NbSe4 tetrahedra. All Cu–Se bond lengths are 2.47 Å. Se2- is bonded to one Nb5+ and three equivalent Cu1+ atoms to form a mixture of distorted edge and corner-sharing SeNbCu3 tetrahedra.},
doi = {10.17188/1207789},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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