Materials Data on SmCu(WO4)2 (SG:2) by Materials Project

doi:10.17188/1262222

Title: Materials Data on SmCu(WO4)2 (SG:2) by Materials Project

Dataset
Other Related Research

Abstract

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

Publication Date:: Wed Jul 09 00:00:00 EDT 2014

Other Number(s):: mp-505062

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; Cu-O-Sm-W; Cu1 O8 Sm1 W2; ICSD-68615; crystal structure; electronic bandstructure

OSTI Identifier:: 1262222

DOI:: https://doi.org/10.17188/1262222

Citation Formats


                    Materials Data on SmCu(WO4)2 (SG:2) by Materials Project.  United States: N. p., 2014. 
        Web.  doi:10.17188/1262222.

Copy to clipboard


                    Materials Data on SmCu(WO4)2 (SG:2) by Materials Project.  United States.  doi:https://doi.org/10.17188/1262222

Copy to clipboard


                    2014.  
"Materials Data on SmCu(WO4)2 (SG:2) by Materials Project".  United States.  doi:https://doi.org/10.17188/1262222.  https://www.osti.gov/servlets/purl/1262222. Pub date:Wed Jul 09 00:00:00 EDT 2014

Copy to clipboard


                    
@article{osti_1262222,

  title        = {Materials Data on SmCu(WO4)2 (SG:2) by Materials Project},

  
  abstractNote = {Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations},

  doi          = {10.17188/1262222},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 09 00:00:00 EDT 2014},

  month        = {Wed Jul 09 00:00:00 EDT 2014}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1262222

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on SmCu(WO4)2 by Materials Project

Dataset

SmCu(WO4)2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Sm3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sm–O bond distances ranging from 2.28–2.66 Å. There are two inequivalent W6+ sites. In the first W6+ site, W6+ is bonded in a distorted octahedral geometry to six O2- atoms. There are a spread of W–O bond distances ranging from 1.81–2.15 Å. In the second W6+ site, W6+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of W–O bond distances ranging from 1.81–2.32 Å. Cu1+ ismore »« less
Materials Data on SmCu(WO4)2 by Materials Project

Dataset

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on SmCu(MoO4)2 (SG:61) by Materials Project

Dataset

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on YTi(WO4)2 (SG:2) by Materials Project

Dataset

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on LaCu(WO4)2 (SG:2) by Materials Project

Dataset

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

Similar Records