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

doi:10.17188/1273186

Title: Materials Data on TbCu(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

Authors:: The Materials Project

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

Other Number(s):: mp-565849

DOE Contract Number:: AC02-05CH11231; EDCBEE

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)

Collaborations:: MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE

Keywords:: crystal structure; Cu1 O8 Tb1 W2; Cu-O-Tb-W; ; electronic bandstructure

OSTI Identifier:: 1273186

DOI:: https://doi.org/10.17188/1273186

Citation Formats


                    The Materials Project. Materials Data on TbCu(WO4)2 (SG:2) by Materials Project.  United States: N. p., 2014. 
        Web.  doi:10.17188/1273186.

Copy to clipboard


                    The Materials Project. Materials Data on TbCu(WO4)2 (SG:2) by Materials Project.  United States.  doi:https://doi.org/10.17188/1273186

Copy to clipboard


                    The Materials Project. 2014.  
"Materials Data on TbCu(WO4)2 (SG:2) by Materials Project".  United States.  doi:https://doi.org/10.17188/1273186.  https://www.osti.gov/servlets/purl/1273186. Pub date:Wed Jul 09 00:00:00 EDT 2014

Copy to clipboard


                    
@article{osti_1273186,

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

  author       = {The 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          = {10.17188/1273186},

  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/10.17188/1273186

Save / Share:

Export Metadata

Save to My Library

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

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

Dataset The Materials Project

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 TbCu(WO4)2 by Materials Project

Dataset The Materials Project

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 TbCu(WO4)2 by Materials Project

Dataset The Materials Project

TbCu(WO4)2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are three inequivalent Tb3+ sites. In the first Tb3+ site, Tb3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Tb–O bond distances ranging from 2.29–2.84 Å. In the second Tb3+ site, Tb3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Tb–O bond distances ranging from 2.28–2.61 Å. In the third Tb3+ site, Tb3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Tb–O bond distances ranging frommore »« less
Materials Data on TbCu(WO4)2 by Materials Project

Dataset The Materials Project

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 TbCu(MoO4)2 (SG:61) by Materials Project

Dataset The Materials Project

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