Materials Data on CoH32C8S4(NO5)2 (SG:14) by Materials Project

doi:10.17188/1281335

Title: Materials Data on CoH32C8S4(NO5)2 (SG:14) 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:: Fri Apr 22 00:00:00 EDT 2016

Other Number(s):: mp-656153

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; C8 Co1 H32 N2 O10 S4; C-Co-H-N-O-S; ICSD-110366

OSTI Identifier:: 1281335

DOI:: https://doi.org/10.17188/1281335

Citation Formats


                    The Materials Project. Materials Data on CoH32C8S4(NO5)2 (SG:14) by Materials Project.  United States: N. p., 2016. 
        Web.  doi:10.17188/1281335.

Copy to clipboard


                    The Materials Project. Materials Data on CoH32C8S4(NO5)2 (SG:14) by Materials Project.  United States.  doi:https://doi.org/10.17188/1281335

Copy to clipboard


                    The Materials Project. 2016.  
"Materials Data on CoH32C8S4(NO5)2 (SG:14) by Materials Project".  United States.  doi:https://doi.org/10.17188/1281335.  https://www.osti.gov/servlets/purl/1281335. Pub date:Fri Apr 22 00:00:00 EDT 2016

Copy to clipboard


                    
@article{osti_1281335,

  title        = {Materials Data on CoH32C8S4(NO5)2 (SG:14) 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          = {10.17188/1281335},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri Apr 22 00:00:00 EDT 2016},

  month        = {Fri Apr 22 00:00:00 EDT 2016}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1281335

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on CoH32C8S4(NO5)2 (SG:14) 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 CoH32C8S4(NO5)2 by Materials Project

Dataset The Materials Project

CoH8(S2O5)2(N(CH3)4)2 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of four tetramethylammonium molecules and one CoH8(S2O5)2 sheet oriented in the (1, 0, 0) direction. In the CoH8(S2O5)2 sheet, Co2+ is bonded in a square co-planar geometry to two equivalent S2- and two equivalent O2- atoms. Both Co–S bond lengths are 2.26 Å. Both Co–O bond lengths are 2.22 Å. There are four inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.02 Å. In the second H1+ site, H1+ ismore »« less
Materials Data on CoH32C8S4(NO5)2 by Materials Project

Dataset The Materials Project

CoH8(S2O5)2(N(CH3)4)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four tetramethylammonium molecules and two CoH8(S2O5)2 clusters. In each CoH8(S2O5)2 cluster, Co2+ is bonded in an octahedral geometry to two equivalent S2- and four O2- atoms. Both Co–S bond lengths are 2.49 Å. There are two shorter (2.15 Å) and two longer (2.18 Å) Co–O bond lengths. There are four inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. In the second H1+ site, H1+ is bonded inmore »« less
Materials Data on CoH32C8S4(NO5)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 CoH32C8S4(NO5)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

Similar Records