Materials Data on VCr by Materials Project

doi:10.17188/1677894

Title: Materials Data on VCr by Materials Project

Dataset
Other Related Research

Abstract

CrV is Tungsten-derived structured and crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. V is bonded in a distorted body-centered cubic geometry to four equivalent V and four equivalent Cr atoms. All V–V bond lengths are 2.53 Å. All V–Cr bond lengths are 2.51 Å. Cr is bonded in a distorted body-centered cubic geometry to four equivalent V and four equivalent Cr atoms. All Cr–Cr bond lengths are 2.53 Å.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1216394

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; VCr; Cr-V

OSTI Identifier:: 1677894

DOI:: https://doi.org/10.17188/1677894

Citation Formats


                    The Materials Project. Materials Data on VCr by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1677894.

Copy to clipboard


                    The Materials Project. Materials Data on VCr by Materials Project.  United States.  doi:https://doi.org/10.17188/1677894

Copy to clipboard


                    The Materials Project. 2020.  
"Materials Data on VCr by Materials Project".  United States.  doi:https://doi.org/10.17188/1677894.  https://www.osti.gov/servlets/purl/1677894. Pub date:Sat May 02 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1677894,

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

  author       = {The Materials Project},

  abstractNote = {CrV is Tungsten-derived structured and crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. V is bonded in a distorted body-centered cubic geometry to four equivalent V and four equivalent Cr atoms. All V–V bond lengths are 2.53 Å. All V–Cr bond lengths are 2.51 Å. Cr is bonded in a distorted body-centered cubic geometry to four equivalent V and four equivalent Cr atoms. All Cr–Cr bond lengths are 2.53 Å.},

  doi          = {10.17188/1677894},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1677894

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on VCr(P2O7)2 by Materials Project

Dataset The Materials Project

VCr(P2O7)2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. V5+ is bonded to six O2- atoms to form VO6 octahedra that share corners with six PO4 tetrahedra. There are a spread of V–O bond distances ranging from 1.85–1.94 Å. Cr3+ is bonded to six O2- atoms to form CrO6 octahedra that share corners with six PO4 tetrahedra. There are a spread of Cr–O bond distances ranging from 2.00–2.02 Å. There are four inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share a cornercorner with onemore »« less
Materials Data on VCr(PO4)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 VCr(CuO2)2 by Materials Project

Dataset The Materials Project

VCr(CuO2)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. V3+ is bonded to six O2- atoms to form VO6 octahedra that share edges with two equivalent VO6 octahedra and edges with four equivalent CrO6 octahedra. There are four shorter (2.04 Å) and two longer (2.09 Å) V–O bond lengths. Cr3+ is bonded to six O2- atoms to form CrO6 octahedra that share edges with two equivalent CrO6 octahedra and edges with four equivalent VO6 octahedra. There are four shorter (2.03 Å) and two longer (2.04 Å) Cr–O bond lengths. Cu1+ is bonded in a linear geometry tomore »« less
Materials Data on LiMg9B20 by Materials Project

Dataset The Materials Project

LiMg9B20 is hexagonal omega structure-derived structured and crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Li is bonded to twelve B atoms to form LiB12 cuboctahedra that share edges with twelve MgB12 cuboctahedra and faces with eight MgB12 cuboctahedra. There are a spread of Li–B bond distances ranging from 2.48–2.50 Å. There are five inequivalent Mg sites. In the first Mg site, Mg is bonded to twelve B atoms to form MgB12 cuboctahedra that share edges with twelve MgB12 cuboctahedra, faces with two equivalent LiB12 cuboctahedra, and faces with six MgB12 cuboctahedra. There are a spread ofmore »« less
Materials Data on Y(CoB)2 by Materials Project

Dataset The Materials Project

YCo2B2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Y3+ is bonded in a body-centered cubic geometry to eight equivalent B3- atoms. All Y–B bond lengths are 2.89 Å. Co+1.50+ is bonded to four equivalent B3- atoms to form a mixture of distorted edge and corner-sharing CoB4 tetrahedra. All Co–B bond lengths are 2.00 Å. B3- is bonded in a 4-coordinate geometry to four equivalent Y3+ and four equivalent Co+1.50+ atoms.

Similar Records