Materials Data on CoN by Materials Project

doi:10.17188/1325399

Title: Materials Data on CoN by Materials Project

Dataset
Other Related Research

Abstract

CoN is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Co3+ is bonded to six equivalent N3- atoms to form a mixture of edge and corner-sharing CoN6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Co–N bond lengths are 2.00 Å. N3- is bonded to six equivalent Co3+ atoms to form a mixture of edge and corner-sharing NCo6 octahedra. The corner-sharing octahedral tilt angles are 0°.

Publication Date:: 2020-07-15

Other Number(s):: mp-1009078

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; Co-N; CoN; crystal structure

OSTI Identifier:: 1325399

DOI:: https://doi.org/10.17188/1325399

Citation Formats


                    Materials Data on CoN by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1325399.

Copy to clipboard


                    Materials Data on CoN by Materials Project.  United States.  doi:https://doi.org/10.17188/1325399

Copy to clipboard


                    2020.  
"Materials Data on CoN by Materials Project".  United States.  doi:https://doi.org/10.17188/1325399.  https://www.osti.gov/servlets/purl/1325399. Pub date:Wed Jul 15 04:00:00 UTC 2020

Copy to clipboard


                    
@article{osti_1325399,

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

  
  abstractNote = {CoN is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Co3+ is bonded to six equivalent N3- atoms to form a mixture of edge and corner-sharing CoN6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Co–N bond lengths are 2.00 Å. N3- is bonded to six equivalent Co3+ atoms to form a mixture of edge and corner-sharing NCo6 octahedra. The corner-sharing octahedral tilt angles are 0°.},

  doi          = {10.17188/1325399},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1325399

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on CoN by Materials Project

Dataset

CoN is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Co3+ is bonded in a body-centered cubic geometry to eight equivalent N3- atoms. All Co–N bond lengths are 2.18 Å. N3- is bonded in a body-centered cubic geometry to eight equivalent Co3+ atoms.
Materials Data on CoN by Materials Project

Dataset

CoN is Zincblende, Sphalerite structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Co3+ is bonded to four equivalent N3- atoms to form corner-sharing CoN4 tetrahedra. All Co–N bond lengths are 1.84 Å. N3- is bonded to four equivalent Co3+ atoms to form corner-sharing NCo4 tetrahedra.
Materials Data on CoN by Materials Project

Dataset

CoN crystallizes in the triclinic P1 space group. The structure is one-dimensional and consists of two CoN ribbons oriented in the (1, 0, 0) direction. Co3+ is bonded in a linear geometry to two equivalent N3- atoms. There is one shorter (1.68 Å) and one longer (1.69 Å) Co–N bond length. N3- is bonded in a linear geometry to two equivalent Co3+ atoms.
Materials Data on In(CoN)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 Zn(CoN)2 by Materials Project

Dataset

Zn(CoN)2 crystallizes in the tetragonal P-4m2 space group. The structure is two-dimensional and consists of one Zn(CoN)2 sheet oriented in the (0, 0, 1) direction. Co2+ is bonded in a linear geometry to two equivalent N3- atoms. Both Co–N bond lengths are 1.73 Å. Zn2+ is bonded to four equivalent N3- atoms to form corner-sharing ZnN4 tetrahedra. All Zn–N bond lengths are 2.18 Å. N3- is bonded in a see-saw-like geometry to two equivalent Co2+ and two equivalent Zn2+ atoms.

Similar Records