Materials Data on Mn2SbTe by Materials Project

doi:10.17188/1748689

Title: Materials Data on Mn2SbTe by Materials Project

Abstract

Mn2SbTe is Caswellsilverite-like structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Mn2+ is bonded to three equivalent Sb2- and three equivalent Te2- atoms to form a mixture of face, edge, and corner-sharing MnSb3Te3 octahedra. The corner-sharing octahedra tilt angles range from 50–51°. All Mn–Sb bond lengths are 2.77 Å. All Mn–Te bond lengths are 2.81 Å. Sb2- is bonded in a 6-coordinate geometry to six equivalent Mn2+ atoms. Te2- is bonded in a 6-coordinate geometry to six equivalent Mn2+ atoms.

Publication Date:: 2020-05-02

Other Number(s):: mp-1221531

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; Mn2SbTe; Mn-Sb-Te

OSTI Identifier:: 1748689

DOI:: https://doi.org/10.17188/1748689

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                    The Materials Project. Materials Data on Mn2SbTe by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1748689.

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                    The Materials Project. Materials Data on Mn2SbTe by Materials Project.  United States.  doi:https://doi.org/10.17188/1748689

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                    The Materials Project. 2020.  
"Materials Data on Mn2SbTe by Materials Project".  United States.  doi:https://doi.org/10.17188/1748689.  https://www.osti.gov/servlets/purl/1748689. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1748689,

  title        = {Materials Data on Mn2SbTe by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Mn2SbTe is Caswellsilverite-like structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Mn2+ is bonded to three equivalent Sb2- and three equivalent Te2- atoms to form a mixture of face, edge, and corner-sharing MnSb3Te3 octahedra. The corner-sharing octahedra tilt angles range from 50–51°. All Mn–Sb bond lengths are 2.77 Å. All Mn–Te bond lengths are 2.81 Å. Sb2- is bonded in a 6-coordinate geometry to six equivalent Mn2+ atoms. Te2- is bonded in a 6-coordinate geometry to six equivalent Mn2+ atoms.},

  doi          = {10.17188/1748689},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1748689

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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)