Materials Data on Ce(HO)3 by Materials Project

doi:10.17188/1278510

Title: Materials Data on Ce(HO)3 by Materials Project

Abstract

Ce(OH)3 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. Ce3+ is bonded in a 9-coordinate geometry to nine equivalent O2- atoms. There are six shorter (2.53 Å) and three longer (2.61 Å) Ce–O bond lengths. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.97 Å. O2- is bonded in a single-bond geometry to three equivalent Ce3+ and one H1+ atom.

Authors:: Persson, Kristin

Contributors:

Researcher:

Project, Materials

Publication Date:: 2020-07-22

Other Number(s):: mp-625915

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; Ce(HO)3; Ce-H-O

OSTI Identifier:: 1278510

DOI:: 10.17188/1278510

Citation Formats


                    Persson, Kristin, and Project, Materials. Materials Data on Ce(HO)3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1278510.

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                    Persson, Kristin, & Project, Materials. Materials Data on Ce(HO)3 by Materials Project.  United States.  doi:10.17188/1278510.

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                    Persson, Kristin, and Project, Materials. 2020.  
"Materials Data on Ce(HO)3 by Materials Project".  United States.  doi:10.17188/1278510.  https://www.osti.gov/servlets/purl/1278510. Pub date:Wed Jul 22 00:00:00 EDT 2020

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@article{osti_1278510,

  title        = {Materials Data on Ce(HO)3 by Materials Project},

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

  abstractNote = {Ce(OH)3 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. Ce3+ is bonded in a 9-coordinate geometry to nine equivalent O2- atoms. There are six shorter (2.53 Å) and three longer (2.61 Å) Ce–O bond lengths. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.97 Å. O2- is bonded in a single-bond geometry to three equivalent Ce3+ and one H1+ atom.},

  doi          = {10.17188/1278510},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: 10.17188/1278510

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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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