Materials Data on AgClO4 by Materials Project

doi:10.17188/1199146

Title: Materials Data on AgClO4 by Materials Project

Abstract

AgClO4 crystallizes in the tetragonal I-42m space group. The structure is two-dimensional and consists of two AgClO4 sheets oriented in the (0, 0, 1) direction. Ag is bonded to four equivalent O atoms to form distorted AgO4 trigonal pyramids that share corners with four equivalent ClO4 tetrahedra. All Ag–O bond lengths are 2.51 Å. O is bonded in a distorted bent 120 degrees geometry to one Ag and one Cl atom. The O–Cl bond length is 1.47 Å. Cl is bonded to four equivalent O atoms to form ClO4 tetrahedra that share corners with four equivalent AgO4 trigonal pyramids.

Publication Date:: 2020-07-14

Other Number(s):: mp-22993

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; AgClO4; Ag-Cl-O

OSTI Identifier:: 1199146

DOI:: https://doi.org/10.17188/1199146

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                    The Materials Project. Materials Data on AgClO4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1199146.

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                    The Materials Project. Materials Data on AgClO4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1199146

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                    The Materials Project. 2020.  
"Materials Data on AgClO4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1199146.  https://www.osti.gov/servlets/purl/1199146. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1199146,

  title        = {Materials Data on AgClO4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {AgClO4 crystallizes in the tetragonal I-42m space group. The structure is two-dimensional and consists of two AgClO4 sheets oriented in the (0, 0, 1) direction. Ag is bonded to four equivalent O atoms to form distorted AgO4 trigonal pyramids that share corners with four equivalent ClO4 tetrahedra. All Ag–O bond lengths are 2.51 Å. O is bonded in a distorted bent 120 degrees geometry to one Ag and one Cl atom. The O–Cl bond length is 1.47 Å. Cl is bonded to four equivalent O atoms to form ClO4 tetrahedra that share corners with four equivalent AgO4 trigonal pyramids.},

  doi          = {10.17188/1199146},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1199146

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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)