Materials Data on Ba2Ag(HgO2)4 by Materials Project

doi:10.17188/1677068

Title: Materials Data on Ba2Ag(HgO2)4 by Materials Project

Abstract

Ba2Ag(HgO2)4 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ba is bonded in a distorted rectangular see-saw-like geometry to four equivalent O atoms. All Ba–O bond lengths are 2.53 Å. Ag is bonded in a distorted body-centered cubic geometry to eight equivalent Hg atoms. All Ag–Hg bond lengths are 3.37 Å. Hg is bonded in a distorted L-shaped geometry to two equivalent Ag and two equivalent O atoms. Both Hg–O bond lengths are 2.21 Å. O is bonded in a water-like geometry to one Ba and one Hg atom.

Publication Date:: 2019-01-12

Other Number(s):: mp-1215100

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; Ba2Ag(HgO2)4; Ag-Ba-Hg-O

OSTI Identifier:: 1677068

DOI:: https://doi.org/10.17188/1677068

Citation Formats


                    The Materials Project. Materials Data on Ba2Ag(HgO2)4 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1677068.

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                    The Materials Project. Materials Data on Ba2Ag(HgO2)4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1677068

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                    The Materials Project. 2019.  
"Materials Data on Ba2Ag(HgO2)4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1677068.  https://www.osti.gov/servlets/purl/1677068. Pub date:Sat Jan 12 00:00:00 EST 2019

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@article{osti_1677068,

  title        = {Materials Data on Ba2Ag(HgO2)4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ba2Ag(HgO2)4 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ba is bonded in a distorted rectangular see-saw-like geometry to four equivalent O atoms. All Ba–O bond lengths are 2.53 Å. Ag is bonded in a distorted body-centered cubic geometry to eight equivalent Hg atoms. All Ag–Hg bond lengths are 3.37 Å. Hg is bonded in a distorted L-shaped geometry to two equivalent Ag and two equivalent O atoms. Both Hg–O bond lengths are 2.21 Å. O is bonded in a water-like geometry to one Ba and one Hg atom.},

  doi          = {10.17188/1677068},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1677068

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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)