U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on NbS2 by Materials Project
Abstract
NbS2 is trigonal omega-like structured and crystallizes in the triclinic P1 space group. The structure is two-dimensional and consists of three NbS2 sheets oriented in the (0, 0, 1) direction. Nb4+ is bonded to six S2- atoms to form edge-sharing NbS6 octahedra. There are a spread of Nb–S bond distances ranging from 2.40–2.60 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 3-coordinate geometry to three equivalent Nb4+ atoms. In the second S2- site, S2- is bonded in a 3-coordinate geometry to three equivalent Nb4+ atoms.
- Publication Date:
- Other Number(s):
- mp-1173504
- 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; Nb-S; NbS2; crystal structure
- OSTI Identifier:
- 1674528
- DOI:
- https://doi.org/10.17188/1674528
Citation Formats
Materials Data on NbS2 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1674528.
Materials Data on NbS2 by Materials Project. United States. doi:https://doi.org/10.17188/1674528
2019.
"Materials Data on NbS2 by Materials Project". United States. doi:https://doi.org/10.17188/1674528. https://www.osti.gov/servlets/purl/1674528. Pub date:Thu Jan 10 23:00:00 EST 2019
@article{osti_1674528,
title = {Materials Data on NbS2 by Materials Project},
abstractNote = {NbS2 is trigonal omega-like structured and crystallizes in the triclinic P1 space group. The structure is two-dimensional and consists of three NbS2 sheets oriented in the (0, 0, 1) direction. Nb4+ is bonded to six S2- atoms to form edge-sharing NbS6 octahedra. There are a spread of Nb–S bond distances ranging from 2.40–2.60 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 3-coordinate geometry to three equivalent Nb4+ atoms. In the second S2- site, S2- is bonded in a 3-coordinate geometry to three equivalent Nb4+ atoms.},
doi = {10.17188/1674528},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}
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