Materials Data on SmNiO3 (SG:62) by Materials Project

doi:10.17188/1200780

Title: Materials Data on SmNiO3 (SG:62) by Materials Project

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-25588

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; Ni1 O3 Sm1; Ni-O-Sm; ICSD-69789; ICSD-96032; ICSD-96033; ICSD-96034; ICSD-96035; ICSD-96036; ICSD-96037; ICSD-56609; ICSD-56610; ICSD-90959; ICSD-88038; ICSD-97640; ICSD-97641; ICSD-97642; ICSD-97643; ICSD-97644; ICSD-97645; ICSD-97646; ICSD-97647; ICSD-97648; ICSD-97649; ICSD-97650; ICSD-97651; ICSD-97652; ICSD-97653; ICSD-97654; ICSD-97655; electronic bandstructure

OSTI Identifier:: 1200780

DOI:: https://doi.org/10.17188/1200780

Citation Formats


                    The Materials Project. Materials Data on SmNiO3 (SG:62) by Materials Project.  United States: N. p., 2016. 
        Web.  doi:10.17188/1200780.

Copy to clipboard


                    The Materials Project. Materials Data on SmNiO3 (SG:62) by Materials Project.  United States.  doi:https://doi.org/10.17188/1200780

Copy to clipboard


                    The Materials Project. 2016.  
"Materials Data on SmNiO3 (SG:62) by Materials Project".  United States.  doi:https://doi.org/10.17188/1200780.  https://www.osti.gov/servlets/purl/1200780. Pub date:Fri Apr 22 00:00:00 EDT 2016

Copy to clipboard


                    
@article{osti_1200780,

  title        = {Materials Data on SmNiO3 (SG:62) 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          = {10.17188/1200780},

  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/10.17188/1200780

Save / Share:

Export Metadata

Save to My Library

Works referencing / citing this record:

Habituation based synaptic plasticity and organismic learning in a quantum perovskite
journal, August 2017

Zuo, Fan; Panda, Priyadarshini; Kotiuga, Michele
Nature Communications, Vol. 8, Issue 1
https://doi.org/10.1038/s41467-017-00248-6

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

Materials Data on SmNiO3 by Materials Project

Dataset The Materials Project

SmNiO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sm3+ is bonded to twelve equivalent O2- atoms to form SmO12 cuboctahedra that share corners with twelve equivalent SmO12 cuboctahedra, faces with six equivalent SmO12 cuboctahedra, and faces with eight equivalent NiO6 octahedra. All Sm–O bond lengths are 2.68 Å. Ni3+ is bonded to six equivalent O2- atoms to form NiO6 octahedra that share corners with six equivalent NiO6 octahedra and faces with eight equivalent SmO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ni–O bond lengths are 1.90 Å. O2- ismore »« less
Materials Data on SmNiO3 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 K3CoO2 (SG:62) 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 Rb3CoO2 (SG:62) 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 LiCrPO5 (SG:62) 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

Title: Materials Data on SmNiO3 (SG:62) by Materials Project

Abstract

Citation Formats

Habituation based synaptic plasticity and organismic learning in a quantum perovskite journal, August 2017

Habituation based synaptic plasticity and organismic learning in a quantum perovskite
journal, August 2017