Materials Data on GaRe2(CO)9 by Materials Project

doi:10.17188/1280999

Title: Materials Data on GaRe2(CO)9 by Materials Project

Abstract

(Re)2Ga(CO)9 crystallizes in the tetragonal I4_1/a space group. The structure is zero-dimensional and consists of one hundred and forty-four formaldehyde molecules, sixteen gallium molecules, and thirty-two rhenium molecules.

Authors:: Persson, Kristin

Contributors:

Researcher:

Project, Materials

Publication Date:: 2014-05-09

Other Number(s):: mp-650814

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; GaRe2(CO)9; C-Ga-O-Re

OSTI Identifier:: 1280999

DOI:: 10.17188/1280999

Citation Formats


                    Persson, Kristin, and Project, Materials. Materials Data on GaRe2(CO)9 by Materials Project.  United States: N. p., 2014. 
        Web.  doi:10.17188/1280999.

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                    Persson, Kristin, & Project, Materials. Materials Data on GaRe2(CO)9 by Materials Project.  United States.  doi:10.17188/1280999.

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                    Persson, Kristin, and Project, Materials. 2014.  
"Materials Data on GaRe2(CO)9 by Materials Project".  United States.  doi:10.17188/1280999.  https://www.osti.gov/servlets/purl/1280999. Pub date:Fri May 09 00:00:00 EDT 2014

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@article{osti_1280999,

  title        = {Materials Data on GaRe2(CO)9 by Materials Project},

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

  abstractNote = {(Re)2Ga(CO)9 crystallizes in the tetragonal I4_1/a space group. The structure is zero-dimensional and consists of one hundred and forty-four formaldehyde molecules, sixteen gallium molecules, and thirty-two rhenium molecules.},

  doi          = {10.17188/1280999},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2014},

  month        = {5}

}

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DOI: 10.17188/1280999

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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)
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)