Materials Data on Ti2Al by Materials Project

doi:10.17188/1325113

Title: Materials Data on Ti2Al by Materials Project

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Abstract

Ti2Al is half-Heusler-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are two inequivalent Ti sites. In the first Ti site, Ti is bonded in a body-centered cubic geometry to four equivalent Ti and four equivalent Al atoms. All Ti–Ti bond lengths are 2.73 Å. All Ti–Al bond lengths are 2.73 Å. In the second Ti site, Ti is bonded in a 10-coordinate geometry to four equivalent Ti and six equivalent Al atoms. All Ti–Al bond lengths are 3.15 Å. Al is bonded in a 4-coordinate geometry to ten Ti atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-24

Other Number(s):: mp-1008753

DOE Contract Number:: AC02-05CH11231; EDCBEE

Research Org.:: Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Collaborations:: MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE

Keywords:: crystal structure; Ti2Al; Al-Ti

OSTI Identifier:: 1325113

DOI:: https://doi.org/10.17188/1325113

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                    The Materials Project. Materials Data on Ti2Al by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1325113.

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                    The Materials Project. Materials Data on Ti2Al by Materials Project.  United States.  doi:https://doi.org/10.17188/1325113

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                    The Materials Project. 2020.  
"Materials Data on Ti2Al by Materials Project".  United States.  doi:https://doi.org/10.17188/1325113.  https://www.osti.gov/servlets/purl/1325113. Pub date:Fri Jul 24 00:00:00 EDT 2020

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@article{osti_1325113,

  title        = {Materials Data on Ti2Al by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ti2Al is half-Heusler-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are two inequivalent Ti sites. In the first Ti site, Ti is bonded in a body-centered cubic geometry to four equivalent Ti and four equivalent Al atoms. All Ti–Ti bond lengths are 2.73 Å. All Ti–Al bond lengths are 2.73 Å. In the second Ti site, Ti is bonded in a 10-coordinate geometry to four equivalent Ti and six equivalent Al atoms. All Ti–Al bond lengths are 3.15 Å. Al is bonded in a 4-coordinate geometry to ten Ti atoms.},

  doi          = {10.17188/1325113},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1325113

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