Materials Data on Ti5Sb2Rh by Materials Project

doi:10.17188/1192099

Title: Materials Data on Ti5Sb2Rh by Materials Project

Abstract

Ti5RhSb2 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Ti sites. In the first Ti site, Ti is bonded in a 6-coordinate geometry to two equivalent Rh and four equivalent Sb atoms. Both Ti–Rh bond lengths are 2.68 Å. There are two shorter (2.81 Å) and two longer (3.08 Å) Ti–Sb bond lengths. In the second Ti site, Ti is bonded in a 6-coordinate geometry to two equivalent Ti and four equivalent Sb atoms. Both Ti–Ti bond lengths are 2.62 Å. All Ti–Sb bond lengths are 2.76 Å. Rh is bonded in a 10-coordinate geometry to eight equivalent Ti atoms. Sb is bonded in a 10-coordinate geometry to ten Ti atoms.

Publication Date:: 2020-07-14

Other Number(s):: mp-16687

DOE Contract Number:: AC02-05CH11231; EDCBEE

Product Type:: Dataset

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)

Subject:: 36 MATERIALS SCIENCE

Keywords:: crystal structure; Ti5Sb2Rh; Rh-Sb-Ti

OSTI Identifier:: 1192099

DOI:: https://doi.org/10.17188/1192099

Citation Formats


                    The Materials Project. Materials Data on Ti5Sb2Rh by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1192099.

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                    The Materials Project. Materials Data on Ti5Sb2Rh by Materials Project.  United States.  doi:https://doi.org/10.17188/1192099

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                    The Materials Project. 2020.  
"Materials Data on Ti5Sb2Rh by Materials Project".  United States.  doi:https://doi.org/10.17188/1192099.  https://www.osti.gov/servlets/purl/1192099. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1192099,

  title        = {Materials Data on Ti5Sb2Rh by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ti5RhSb2 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Ti sites. In the first Ti site, Ti is bonded in a 6-coordinate geometry to two equivalent Rh and four equivalent Sb atoms. Both Ti–Rh bond lengths are 2.68 Å. There are two shorter (2.81 Å) and two longer (3.08 Å) Ti–Sb bond lengths. In the second Ti site, Ti is bonded in a 6-coordinate geometry to two equivalent Ti and four equivalent Sb atoms. Both Ti–Ti bond lengths are 2.62 Å. All Ti–Sb bond lengths are 2.76 Å. Rh is bonded in a 10-coordinate geometry to eight equivalent Ti atoms. Sb is bonded in a 10-coordinate geometry to ten Ti atoms.},

  doi          = {10.17188/1192099},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1192099

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The Materials Project

Harnessing the power of supercomputing and state of the art electronic structure methods, the Materials Project provides open web-based access to computed information on known and predicted materials as well as powerful analysis tools to inspire and design novel materials. Experimental research can be targeted to the most promising compounds from computational data sets. Supercomputing clusters at national laboratories provide the infrastructure that enables computations, data, and algorithms to run at unparalleled speed. Researchers are be able to data-mine scientific trends in materials properties. By providing materials researchers with the information they need to design better, the Materials Project aimsmore »

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Research Org:	Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project; Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Argonne National Lab. (ANL), Argonne, IL (United States); University of Califorinia San Diego Supercomputing Center (SDSC), San Diego, CA (United States)
Sponsoring Org:	USDOE Office of Science (SC), Basic Energy Sciences (BES); USDOE Office of Science (SC), Advanced Scientific Computing Research (ASCR); USDOE Office of Energy Efficiency and Renewable Energy (EERE), Vehicle Technologies Office (EE-3V)