Ce5Zr3O16

Ce5Zr3O16 is a metastable semiconducting oxide containing cerium and zirconium that is utilized in materials science research.

CeOZr
Crystal structure of Ce5Zr3O16
Ground-state structure · Materials Project
Overview

About Ce5Zr3O16

Ce5Zr3O16 is a complex oxide composed of cerium, zirconium, and oxygen. As a semiconducting material, it exhibits electronic properties that distinguish it from simple binary oxides, making it a subject of interest for specialized functional applications.

Although it is classified as a metastable compound, its existence across multiple structural databases highlights its significance in the study of cerium-zirconium oxide systems. Its unique stoichiometry allows for diverse atomic arrangements that researchers investigate to understand phase stability and defect chemistry.

At a glance

Key Properties

Cross-validated computational properties for Ce5Zr3O16, aggregated across 3 databases.

Band Gap

1.83 eV
Range across DFT structures

Energy Above Hull

0.040 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

5
3 databases, 1 space group
Uses

Applications

Where Ce5Zr3O16 is used.

Materials science researchSolid-state chemistry studiesCatalysis research
Reference

Frequently Asked Questions

Common questions about Ce5Zr3O16, answered from cross-validated data.

What is Ce5Zr3O16?

Ce5Zr3O16 is a metastable semiconducting oxide containing cerium and zirconium that is utilized in materials science research.

More questions
What is Ce5Zr3O16 used for?
Ce5Zr3O16 is used in materials science research, solid-state chemistry studies, and catalysis research.
What is the band gap of Ce5Zr3O16?
Ce5Zr3O16 has a DFT-computed band gap of 1.83 eV across 5 reported structures.
Is Ce5Zr3O16 a metal, semiconductor, or insulator?
With a band gap up to 1.83 eV it is a semiconductor.
Is Ce5Zr3O16 thermodynamically stable?
Ce5Zr3O16 has a lowest energy above hull of 0.040 eV/atom (metastable).
How many polymorphs of Ce5Zr3O16 are known?
5 structures of Ce5Zr3O16 are reported across 3 databases, spanning 1 distinct space group.
What elements does Ce5Zr3O16 contain?
Ce5Zr3O16 contains Ce, O, and Zr (3 elements).
Where does the data for Ce5Zr3O16 come from?
Ce5Zr3O16 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique member of the cerium-zirconium oxide family, Ce5Zr3O16 occupies a distinct space in the landscape of complex oxides. While many related materials in this class are studied for their ionic conductivity or catalytic potential, this specific stoichiometry offers a different structural configuration that provides researchers with a valuable data point for mapping the phase behavior of rare-earth-doped zirconia systems.

Data sources & attribution
  • latticegraph — Lattice Graph Materials Intelligence Platform

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