Materials Data on GaSb by Materials Project

doi:10.17188/1350126

Title: Materials Data on GaSb by Materials Project

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Abstract

GaSb is Wurtzite structured and crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Ga3+ is bonded to four equivalent Sb3- atoms to form corner-sharing GaSb4 tetrahedra. There are three shorter (2.69 Å) and one longer (2.70 Å) Ga–Sb bond lengths. Sb3- is bonded to four equivalent Ga3+ atoms to form corner-sharing SbGa4 tetrahedra.

Publication Date:: Mon Jul 20 00:00:00 EDT 2020

Other Number(s):: mp-1018059

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; Ga-Sb; GaSb; crystal structure

OSTI Identifier:: 1350126

DOI:: https://doi.org/10.17188/1350126

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                    Materials Data on GaSb by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1350126.

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                    Materials Data on GaSb by Materials Project.  United States.  doi:https://doi.org/10.17188/1350126

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                    2020.  
"Materials Data on GaSb by Materials Project".  United States.  doi:https://doi.org/10.17188/1350126.  https://www.osti.gov/servlets/purl/1350126. Pub date:Mon Jul 20 00:00:00 EDT 2020

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@article{osti_1350126,

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

  
  abstractNote = {GaSb is Wurtzite structured and crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Ga3+ is bonded to four equivalent Sb3- atoms to form corner-sharing GaSb4 tetrahedra. There are three shorter (2.69 Å) and one longer (2.70 Å) Ga–Sb bond lengths. Sb3- is bonded to four equivalent Ga3+ atoms to form corner-sharing SbGa4 tetrahedra.},

  doi          = {10.17188/1350126},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Mon Jul 20 00:00:00 EDT 2020},

  month        = {Mon Jul 20 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1350126

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Materials Data on GaSb by Materials Project

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GaSb crystallizes in the triclinic P1 space group. The structure is three-dimensional. Ga3+ is bonded to six equivalent Sb3- atoms to form distorted GaSb6 octahedra that share corners with twelve equivalent SbGa6Sb2 hexagonal bipyramids, corners with six equivalent GaSb6 octahedra, and edges with twelve equivalent GaSb6 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. There are a spread of Ga–Sb bond distances ranging from 2.89–3.11 Å. Sb3- is bonded to six equivalent Ga3+ and two equivalent Sb3- atoms to form distorted SbGa6Sb2 hexagonal bipyramids that share corners with eight equivalent SbGa6Sb2 hexagonal bipyramids, corners with twelve equivalent GaSb6 octahedra,more »« less
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Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
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