Materials Data on VP by Materials Project

doi:10.17188/1187588

Title: Materials Data on VP by Materials Project

Dataset
Other Related Research

Abstract

VP1 is Tungsten Carbide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. V3+ is bonded to six equivalent P3- atoms to form a mixture of face, edge, and corner-sharing VP6 octahedra. The corner-sharing octahedral tilt angles are 45°. All V–P bond lengths are 2.40 Å. P3- is bonded to six equivalent V3+ atoms to form a mixture of distorted edge and corner-sharing PV6 pentagonal pyramids.

Publication Date:: 2020-07-14

Other Number(s):: mp-1114

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; P-V; VP; crystal structure

OSTI Identifier:: 1187588

DOI:: https://doi.org/10.17188/1187588

Citation Formats


                    Materials Data on VP by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1187588.

Copy to clipboard


                    Materials Data on VP by Materials Project.  United States.  doi:https://doi.org/10.17188/1187588

Copy to clipboard


                    2020.  
"Materials Data on VP by Materials Project".  United States.  doi:https://doi.org/10.17188/1187588.  https://www.osti.gov/servlets/purl/1187588. Pub date:Tue Jul 14 04:00:00 UTC 2020

Copy to clipboard


                    
@article{osti_1187588,

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

  
  abstractNote = {VP1 is Tungsten Carbide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. V3+ is bonded to six equivalent P3- atoms to form a mixture of face, edge, and corner-sharing VP6 octahedra. The corner-sharing octahedral tilt angles are 45°. All V–P bond lengths are 2.40 Å. P3- is bonded to six equivalent V3+ atoms to form a mixture of distorted edge and corner-sharing PV6 pentagonal pyramids.},

  doi          = {10.17188/1187588},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1187588

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on VP by Materials Project

Dataset

VP1 is Molybdenum Carbide MAX Phase-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. V3+ is bonded to six equivalent P3- atoms to form a mixture of distorted corner and edge-sharing VP6 pentagonal pyramids. All V–P bond lengths are 2.41 Å. P3- is bonded to six equivalent V3+ atoms to form a mixture of corner, edge, and face-sharing PV6 octahedra. The corner-sharing octahedral tilt angles are 47°.
Materials Data on VP(H2O3)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 VP(H2O3)2 (SG:14) 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 Be by Materials Project

Dataset

Be is beta Np structured and crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Be is bonded in a 11-coordinate geometry to eleven equivalent Be atoms. There are a spread of Be–Be bond distances ranging from 2.14–2.28 Å.
Materials Data on As by Materials Project

Dataset

As is alpha Po structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. As is bonded to six equivalent As atoms to form a mixture of edge and corner-sharing AsAs6 octahedra. The corner-sharing octahedral tilt angles are 0°. All As–As bond lengths are 2.74 Å.

Similar Records