Cs16O12Zn4

Cs16O12Zn4 is a thermodynamically stable semiconducting oxide that functions as a specialized catalyst within the broader class of spinel-related materials.

Crystal structure of Cs16O12Zn4
Ground-state structure · Materials Project
Overview

About Cs16O12Zn4

Cs16O12Zn4 is a complex semiconducting oxide that sits firmly on the convex hull, indicating high thermodynamic stability. As a member of the spinel oxide catalyst family, it represents a specialized structural arrangement that facilitates unique electronic interactions suitable for advanced chemical transformations. Its structural integrity makes it a compelling subject for researchers investigating stable, high-performance catalytic materials. The compound is primarily studied for its potential in surface-mediated reactions where its specific electronic character can be leveraged to lower activation barriers. By providing a stable framework for active metal sites, it serves as a foundational material for developing more efficient catalysts in industrial processes.

At a glance

Key Properties

Cross-validated computational properties for Cs16O12Zn4, aggregated across 3 databases.

Band Gap

1.68 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

3
3 databases, 2 space groups
Uses

Applications

Where Cs16O12Zn4 is used.

Heterogeneous catalysisChemical synthesisMaterials science research
Reference

Frequently Asked Questions

Common questions about Cs16O12Zn4, answered from cross-validated data.

What is Cs16O12Zn4?

Cs16O12Zn4 is a thermodynamically stable semiconducting oxide that functions as a specialized catalyst within the broader class of spinel-related materials.

More questions
What is Cs16O12Zn4 used for?
Cs16O12Zn4 is used in heterogeneous catalysis, chemical synthesis, and materials science research.
What is the band gap of Cs16O12Zn4?
Cs16O12Zn4 has a DFT-computed band gap of 1.68 eV across 3 reported structures.
Is Cs16O12Zn4 a metal, semiconductor, or insulator?
With a band gap up to 1.68 eV it is a semiconductor.
Is Cs16O12Zn4 thermodynamically stable?
Yes — Cs16O12Zn4 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of Cs16O12Zn4 are known?
3 structures of Cs16O12Zn4 are reported across 3 databases, spanning 2 distinct space groups.
What elements does Cs16O12Zn4 contain?
Cs16O12Zn4 contains Cs, O, and Zn (3 elements).
Where does the data for Cs16O12Zn4 come from?
Cs16O12Zn4 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the spinel oxide catalysts class.

Within the diverse family of spinel and related oxides, Cs16O12Zn4 occupies a distinct niche compared to simpler binary oxides like ZnO or CuO. While traditional catalysts such as MgAl2O4 are widely utilized for their structural robustness, this cesium-containing variant offers a unique chemical environment that differentiates it from the more common transition metal-based perovskites like LaMnO3 or LaAlO3.

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Related Compounds

Other Spinel Oxide Catalysts in the database.

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

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