Materials Data on Sm(AgGe)2 by Materials Project

doi:10.17188/1282034

Title: Materials Data on Sm(AgGe)2 by Materials Project

Abstract

SmAg2Ge2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sm is bonded in a 8-coordinate geometry to eight equivalent Ag and eight equivalent Ge atoms. All Sm–Ag bond lengths are 3.52 Å. All Sm–Ge bond lengths are 3.27 Å. Ag is bonded to four equivalent Sm, four equivalent Ag, and four equivalent Ge atoms to form a mixture of distorted face, edge, and corner-sharing AgSm4Ag4Ge4 cuboctahedra. All Ag–Ag bond lengths are 3.04 Å. All Ag–Ge bond lengths are 2.66 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Sm, four equivalent Ag, and one Ge atom. The Ge–Ge bond length is 2.44 Å.

Publication Date:: 2020-07-16

Other Number(s):: mp-972680

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; Sm(AgGe)2; Ag-Ge-Sm

OSTI Identifier:: 1282034

DOI:: 10.17188/1282034

Citation Formats


                    The Materials Project. Materials Data on Sm(AgGe)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1282034.

Copy to clipboard


                    The Materials Project. Materials Data on Sm(AgGe)2 by Materials Project.  United States.  doi:10.17188/1282034.

Copy to clipboard


                    The Materials Project. 2020.  
"Materials Data on Sm(AgGe)2 by Materials Project".  United States.  doi:10.17188/1282034.  https://www.osti.gov/servlets/purl/1282034. Pub date:Thu Jul 16 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1282034,

  title        = {Materials Data on Sm(AgGe)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {SmAg2Ge2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sm is bonded in a 8-coordinate geometry to eight equivalent Ag and eight equivalent Ge atoms. All Sm–Ag bond lengths are 3.52 Å. All Sm–Ge bond lengths are 3.27 Å. Ag is bonded to four equivalent Sm, four equivalent Ag, and four equivalent Ge atoms to form a mixture of distorted face, edge, and corner-sharing AgSm4Ag4Ge4 cuboctahedra. All Ag–Ag bond lengths are 3.04 Å. All Ag–Ge bond lengths are 2.66 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Sm, four equivalent Ag, and one Ge atom. The Ge–Ge bond length is 2.44 Å.},

  doi          = {10.17188/1282034},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

Copy to clipboard

Dataset:

View Dataset

DOI: 10.17188/1282034

Save / Share:

Export Metadata

Save to My Library

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 »

Similar records in DOE Data Explorer and OSTI.GOV collections:

Materials Data on La(AgGe)2 by Materials Project

Dataset The Materials Project

La(AgGe)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. La is bonded in a 8-coordinate geometry to eight equivalent Ag and eight equivalent Ge atoms. All La–Ag bond lengths are 3.53 Å. All La–Ge bond lengths are 3.35 Å. Ag is bonded in a 12-coordinate geometry to four equivalent La, four equivalent Ag, and four equivalent Ge atoms. All Ag–Ag bond lengths are 3.11 Å. All Ag–Ge bond lengths are 2.68 Å. Ge is bonded in a 9-coordinate geometry to four equivalent La, four equivalent Ag, and one Ge atom. The Ge–Ge bond length is 2.48 Å.
Materials Data on Nd(AgGe)2 by Materials Project

Dataset The Materials Project

NdAg2Ge2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Nd is bonded in a 8-coordinate geometry to eight equivalent Ag and eight equivalent Ge atoms. All Nd–Ag bond lengths are 3.53 Å. All Nd–Ge bond lengths are 3.29 Å. Ag is bonded to four equivalent Nd, four equivalent Ag, and four equivalent Ge atoms to form a mixture of distorted edge, face, and corner-sharing AgNd4Ag4Ge4 cuboctahedra. All Ag–Ag bond lengths are 3.05 Å. All Ag–Ge bond lengths are 2.67 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Nd, four equivalent Ag, and one Gemore »« less
Materials Data on Ce(AgGe)2 by Materials Project

Dataset The Materials Project

CeAg2Ge2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ce is bonded in a 8-coordinate geometry to eight equivalent Ag and eight equivalent Ge atoms. All Ce–Ag bond lengths are 3.53 Å. All Ce–Ge bond lengths are 3.28 Å. Ag is bonded to four equivalent Ce, four equivalent Ag, and four equivalent Ge atoms to form a mixture of distorted face, edge, and corner-sharing AgCe4Ag4Ge4 cuboctahedra. All Ag–Ag bond lengths are 3.04 Å. All Ag–Ge bond lengths are 2.67 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Ce, four equivalent Ag, and one Gemore »« less
Materials Data on Ba(AgGe)2 by Materials Project

Dataset The Materials Project

Ba(AgGe)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ba is bonded in a 8-coordinate geometry to eight equivalent Ag and eight equivalent Ge atoms. All Ba–Ag bond lengths are 3.59 Å. All Ba–Ge bond lengths are 3.54 Å. Ag is bonded in a 12-coordinate geometry to four equivalent Ba and four equivalent Ge atoms. All Ag–Ge bond lengths are 2.75 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Ba, four equivalent Ag, and one Ge atom. The Ge–Ge bond length is 2.56 Å.
Materials Data on Pr(AgGe)2 by Materials Project

Dataset The Materials Project

PrAg2Ge2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Pr is bonded in a 8-coordinate geometry to eight equivalent Ag and eight equivalent Ge atoms. All Pr–Ag bond lengths are 3.53 Å. All Pr–Ge bond lengths are 3.31 Å. Ag is bonded to four equivalent Pr, four equivalent Ag, and four equivalent Ge atoms to form a mixture of distorted corner, edge, and face-sharing AgPr4Ag4Ge4 cuboctahedra. All Ag–Ag bond lengths are 3.07 Å. All Ag–Ge bond lengths are 2.67 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Pr, four equivalent Ag, and one Gemore »« less

Similar Records

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)