Zn3Cr2O7

Zn3Cr2O7 is a semiconducting spinel oxide that serves as a specialized subject for research into metastable catalytic materials.

Crystal structure of Zn3Cr2O7
Ground-state structure · Materials Project
Overview

About Zn3Cr2O7

Zn3Cr2O7 is a complex spinel oxide characterized by its semiconducting electronic nature. As a member of the broader spinel family, it represents a specific arrangement of zinc, chromium, and oxygen atoms that has been documented across multiple structural databases. Its existence as a metastable phase suggests unique synthesis pathways are required to stabilize its lattice configuration.

This compound is of interest in materials science due to the catalytic potential inherent in its transition metal components. While it sits above the thermodynamic hull, understanding its structural behavior provides valuable insights into the design of advanced oxide catalysts for chemical transformations and surface-active applications.

At a glance

Key Properties

Cross-validated computational properties for Zn3Cr2O7, aggregated across 3 databases.

Band Gap

0.39 eV
Range across DFT structures

Energy Above Hull

0.123 eV/atom
Best (lowest) across sources

Stability

Above hull
2 DFT sources

Structures

5
3 databases, 1 space group
Uses

Applications

Where Zn3Cr2O7 is used.

Catalytic researchMaterials science studiesSurface chemistry investigations
Reference

Frequently Asked Questions

Common questions about Zn3Cr2O7, answered from cross-validated data.

What is Zn3Cr2O7?

Zn3Cr2O7 is a semiconducting spinel oxide that serves as a specialized subject for research into metastable catalytic materials.

More questions
What is Zn3Cr2O7 used for?
Zn3Cr2O7 is used in catalytic research, materials science studies, and surface chemistry investigations.
What is the band gap of Zn3Cr2O7?
Zn3Cr2O7 has a DFT-computed band gap of 0.39 eV across 5 reported structures.
Is Zn3Cr2O7 a metal, semiconductor, or insulator?
With a band gap up to 0.39 eV it is a semiconductor.
Is Zn3Cr2O7 thermodynamically stable?
Zn3Cr2O7 has a lowest energy above hull of 0.123 eV/atom (above hull).
How many polymorphs of Zn3Cr2O7 are known?
5 structures of Zn3Cr2O7 are reported across 3 databases, spanning 1 distinct space group.
What elements does Zn3Cr2O7 contain?
Zn3Cr2O7 contains Cr, O, and Zn (3 elements).
Where does the data for Zn3Cr2O7 come from?
Zn3Cr2O7 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the spinel oxide catalysts class.

Unlike the highly stable and widely utilized MgAl2O4 spinel or the simple binary oxides like ZnO and NiO, Zn3Cr2O7 exists in a more precarious thermodynamic state. While perovskite-structured oxides such as LaMnO3 or LaAlO3 are often explored for their robust catalytic frameworks, this zinc-chromium oxide offers a distinct structural alternative that challenges researchers to manage its stability while leveraging its semiconducting properties for potential catalytic utility.

Explore

Related Compounds

Other Spinel Oxide Catalysts in the database.

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

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