Materials Data on Ag by Materials Project

doi:10.17188/1309155

Title: Materials Data on Ag by Materials Project

Abstract

Ag is alpha La structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Ag sites. In the first Ag site, Ag is bonded to twelve Ag atoms to form a mixture of corner, edge, and face-sharing AgAg12 cuboctahedra. There are six shorter (2.94 Å) and six longer (2.95 Å) Ag–Ag bond lengths. In the second Ag site, Ag is bonded to twelve Ag atoms to form a mixture of corner, edge, and face-sharing AgAg12 cuboctahedra. All Ag–Ag bond lengths are 2.95 Å.

Publication Date:: 2020-07-16

Other Number(s):: mp-8566

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; Ag; Ag

OSTI Identifier:: 1309155

DOI:: https://doi.org/10.17188/1309155

Citation Formats


                    The Materials Project. Materials Data on Ag by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1309155.

Copy to clipboard


                    The Materials Project. Materials Data on Ag by Materials Project.  United States.  doi:https://doi.org/10.17188/1309155

Copy to clipboard


                    The Materials Project. 2020.  
"Materials Data on Ag by Materials Project".  United States.  doi:https://doi.org/10.17188/1309155.  https://www.osti.gov/servlets/purl/1309155. Pub date:Thu Jul 16 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1309155,

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

  author       = {The Materials Project},

  abstractNote = {Ag is alpha La structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Ag sites. In the first Ag site, Ag is bonded to twelve Ag atoms to form a mixture of corner, edge, and face-sharing AgAg12 cuboctahedra. There are six shorter (2.94 Å) and six longer (2.95 Å) Ag–Ag bond lengths. In the second Ag site, Ag is bonded to twelve Ag atoms to form a mixture of corner, edge, and face-sharing AgAg12 cuboctahedra. All Ag–Ag bond lengths are 2.95 Å.},

  doi          = {10.17188/1309155},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1309155

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 Ag(AuS)2 by Materials Project

Dataset The Materials Project

Ag(AuS)2 crystallizes in the monoclinic Pc space group. The structure is three-dimensional. there are two inequivalent Au+1.50+ sites. In the first Au+1.50+ site, Au+1.50+ is bonded in a distorted linear geometry to two S2- atoms. There are one shorter (2.32 Å) and one longer (2.34 Å) Au–S bond lengths. In the second Au+1.50+ site, Au+1.50+ is bonded in a linear geometry to two equivalent S2- atoms. Both Au–S bond lengths are 2.33 Å. Ag1+ is bonded in a 4-coordinate geometry to four S2- atoms. There are a spread of Ag–S bond distances ranging from 2.50–2.97 Å. There are two inequivalentmore »« less
Materials Data on Ag(CO)2 by Materials Project

Dataset The Materials Project

AgO2C2 crystallizes in the monoclinic C2/c space group. The structure is one-dimensional and consists of four AgO2C2 clusters and two AgO2C2 ribbons oriented in the (0, 0, 1) direction. In each AgO2C2 cluster, Ag2+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Ag–O bond distances ranging from 2.24–2.55 Å. There are two inequivalent C1+ sites. In the first C1+ site, C1+ is bonded in a single-bond geometry to one O2- atom. The C–O bond length is 1.26 Å. In the second C1+ site, C1+ is bonded in a single-bond geometry to one O2-more »« less
Materials Data on Ag(W3Br7)2 by Materials Project

Dataset The Materials Project

Ag(W3Br7)2 crystallizes in the cubic Pn-3 space group. The structure is three-dimensional. W+2.17+ is bonded to five Br1- atoms to form WBr5 square pyramids that share a cornercorner with one AgBr6 octahedra and edges with four equivalent WBr5 square pyramids. The corner-sharing octahedral tilt angles are 45°. There are a spread of W–Br bond distances ranging from 2.61–2.66 Å. Ag1+ is bonded to six equivalent Br1- atoms to form AgBr6 octahedra that share corners with six equivalent WBr5 square pyramids. All Ag–Br bond lengths are 2.91 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- ismore »« less
Materials Data on Ag(TeMo)6 by Materials Project

Dataset The Materials Project

AgMo6Te6 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one AgMo6Te6 sheet oriented in the (0, 0, 1) direction. there are three inequivalent Mo sites. In the first Mo site, Mo is bonded in a 10-coordinate geometry to six Mo and four Te atoms. There are a spread of Mo–Mo bond distances ranging from 2.67–2.78 Å. There are a spread of Mo–Te bond distances ranging from 2.82–2.90 Å. In the second Mo site, Mo is bonded in a 11-coordinate geometry to six Mo, one Ag, and four Te atoms. There are one shorter (2.66more »« less
Materials Data on Ag by Materials Project

Dataset The Materials Project

Ag is Copper structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ag is bonded to twelve equivalent Ag atoms to form a mixture of corner, edge, and face-sharing AgAg12 cuboctahedra. All Ag–Ag bond lengths are 2.94 Å.

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)