Materials Data on Nb3Si by Materials Project

doi:10.17188/1186835

Title: Materials Data on Nb3Si by Materials Project

Dataset
Other Related Research

Abstract

Nb3Si crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Nb is bonded in a 6-coordinate geometry to two equivalent Nb and four equivalent Si atoms. Both Nb–Nb bond lengths are 2.56 Å. All Nb–Si bond lengths are 2.87 Å. Si is bonded to twelve equivalent Nb atoms to form a mixture of face and edge-sharing SiNb12 cuboctahedra.

Publication Date:: 2020-07-16

Other Number(s):: mp-10229

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-Si; Nb3Si; crystal structure

OSTI Identifier:: 1186835

DOI:: https://doi.org/10.17188/1186835

Citation Formats


                    Materials Data on Nb3Si by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1186835.

Copy to clipboard


                    Materials Data on Nb3Si by Materials Project.  United States.  doi:https://doi.org/10.17188/1186835

Copy to clipboard


                    2020.  
"Materials Data on Nb3Si by Materials Project".  United States.  doi:https://doi.org/10.17188/1186835.  https://www.osti.gov/servlets/purl/1186835. Pub date:Thu Jul 16 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1186835,

  title        = {Materials Data on Nb3Si by Materials Project},

  
  abstractNote = {Nb3Si crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Nb is bonded in a 6-coordinate geometry to two equivalent Nb and four equivalent Si atoms. Both Nb–Nb bond lengths are 2.56 Å. All Nb–Si bond lengths are 2.87 Å. Si is bonded to twelve equivalent Nb atoms to form a mixture of face and edge-sharing SiNb12 cuboctahedra.},

  doi          = {10.17188/1186835},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1186835

Save / Share:

Export Metadata

Save to My Library

Similar records in DOE Data Explorer and OSTI.GOV collections:

Materials Data on Nb3Si by Materials Project

Dataset

Nb3Si crystallizes in the tetragonal P4_2/n space group. The structure is three-dimensional. there are three inequivalent Nb sites. In the first Nb site, Nb is bonded in a 2-coordinate geometry to two equivalent Si atoms. There are one shorter (2.62 Å) and one longer (2.66 Å) Nb–Si bond lengths. In the second Nb site, Nb is bonded in a 4-coordinate geometry to four equivalent Si atoms. There are a spread of Nb–Si bond distances ranging from 2.60–2.72 Å. In the third Nb site, Nb is bonded in a 2-coordinate geometry to three equivalent Si atoms. There are a spread ofmore »« less
Materials Data on Nb3Si by Materials Project

Dataset

Nb3Si is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Nb is bonded to eight equivalent Nb and four equivalent Si atoms to form NbNb8Si4 cuboctahedra that share corners with twelve equivalent NbNb8Si4 cuboctahedra, edges with eight equivalent SiNb12 cuboctahedra, edges with sixteen equivalent NbNb8Si4 cuboctahedra, faces with four equivalent SiNb12 cuboctahedra, and faces with fourteen equivalent NbNb8Si4 cuboctahedra. All Nb–Nb bond lengths are 2.89 Å. All Nb–Si bond lengths are 2.89 Å. Si is bonded to twelve equivalent Nb atoms to form SiNb12 cuboctahedra that share corners with twelve equivalent SiNb12 cuboctahedra,more »« less
Materials Data on Nb3Si by Materials Project

Dataset

Nb3Si crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are two inequivalent Nb sites. In the first Nb site, Nb is bonded in a distorted L-shaped geometry to two equivalent Nb and two equivalent Si atoms. Both Nb–Nb bond lengths are 2.90 Å. Both Nb–Si bond lengths are 2.60 Å. In the second Nb site, Nb is bonded in a distorted body-centered cubic geometry to eight Nb atoms. All Nb–Nb bond lengths are 2.91 Å. Si is bonded in a distorted square co-planar geometry to four equivalent Nb atoms.
Materials Data on Nb3Si by Materials Project

Dataset

Nb3Si crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Nb sites. In the first Nb site, Nb is bonded in a 12-coordinate geometry to three equivalent Nb and three equivalent Si atoms. There are one shorter (2.83 Å) and two longer (2.84 Å) Nb–Nb bond lengths. All Nb–Si bond lengths are 2.65 Å. In the second Nb site, Nb is bonded to twelve Nb atoms to form a mixture of face, edge, and corner-sharing NbNb12 cuboctahedra. There are four shorter (3.17 Å) and two longer (3.21 Å) Nb–Nb bond lengths. Si is bondedmore »« less
Materials Data on Be by Materials Project

Dataset

Be is beta Np structured and crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Be is bonded in a 11-coordinate geometry to eleven equivalent Be atoms. There are a spread of Be–Be bond distances ranging from 2.14–2.28 Å.

Similar Records