Materials Data on HgSe by Materials Project

doi:10.17188/1282139

Title: Materials Data on HgSe by Materials Project

Abstract

HgSe is Zincblende, Sphalerite structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Hg2+ is bonded to four equivalent Se2- atoms to form corner-sharing HgSe4 tetrahedra. All Hg–Se bond lengths are 2.72 Å. Se2- is bonded to four equivalent Hg2+ atoms to form corner-sharing SeHg4 tetrahedra.

Authors:: Persson, Kristin

Contributors:

Researcher:

Project, Materials

Publication Date:: 2020-07-15

Other Number(s):: mp-820

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; HgSe; Hg-Se

OSTI Identifier:: 1282139

DOI:: 10.17188/1282139

Citation Formats


                    Persson, Kristin, and Project, Materials. Materials Data on HgSe by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1282139.

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                    Persson, Kristin, & Project, Materials. Materials Data on HgSe by Materials Project.  United States.  doi:10.17188/1282139.

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                    Persson, Kristin, and Project, Materials. 2020.  
"Materials Data on HgSe by Materials Project".  United States.  doi:10.17188/1282139.  https://www.osti.gov/servlets/purl/1282139. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1282139,

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

  author       = {Persson, Kristin and Project, Materials},

  abstractNote = {HgSe is Zincblende, Sphalerite structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Hg2+ is bonded to four equivalent Se2- atoms to form corner-sharing HgSe4 tetrahedra. All Hg–Se bond lengths are 2.72 Å. Se2- is bonded to four equivalent Hg2+ atoms to form corner-sharing SeHg4 tetrahedra.},

  doi          = {10.17188/1282139},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: 10.17188/1282139

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The Materials Project

Persson, Kristin

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)
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