Cr2Hf2O8

Cr2Hf2O8 is a metastable, semiconducting spinel oxide used in research for its potential catalytic properties.

Crystal structure of Cr2Hf2O8
Ground-state structure · Materials Project
Overview

About Cr2Hf2O8

Cr2Hf2O8 is a semiconducting complex oxide that belongs to the broader family of spinel-structured materials. Its composition, incorporating both chromium and hafnium, positions it as an intriguing candidate for specialized catalytic processes where specific electronic states are required to facilitate surface reactions.

As a metastable compound, it represents a unique structural configuration that is distinct from more common, highly stable oxides. Its existence across multiple reported structures suggests significant interest in its potential for tuning catalytic activity through structural manipulation and defect engineering.

At a glance

Key Properties

Cross-validated computational properties for Cr2Hf2O8, aggregated across 3 databases.

Band Gap

1.14 eV
Range across DFT structures

Energy Above Hull

0.056 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

9
3 databases, 5 space groups
Uses

Applications

Where Cr2Hf2O8 is used.

Catalytic researchMaterials science developmentSurface chemistry studies
Reference

Frequently Asked Questions

Common questions about Cr2Hf2O8, answered from cross-validated data.

What is Cr2Hf2O8?

Cr2Hf2O8 is a metastable, semiconducting spinel oxide used in research for its potential catalytic properties.

More questions
What is Cr2Hf2O8 used for?
Cr2Hf2O8 is used in catalytic research, materials science development, and surface chemistry studies.
What is the band gap of Cr2Hf2O8?
Cr2Hf2O8 has a DFT-computed band gap of 1.14 eV across 9 reported structures.
Is Cr2Hf2O8 a metal, semiconductor, or insulator?
With a band gap up to 1.14 eV it is a semiconductor.
Is Cr2Hf2O8 thermodynamically stable?
Cr2Hf2O8 has a lowest energy above hull of 0.056 eV/atom (metastable).
How many polymorphs of Cr2Hf2O8 are known?
9 structures of Cr2Hf2O8 are reported across 3 databases, spanning 5 distinct space groups.
What elements does Cr2Hf2O8 contain?
Cr2Hf2O8 contains Cr, Hf, and O (3 elements).
Where does the data for Cr2Hf2O8 come from?
Cr2Hf2O8 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the spinel oxide catalysts class.

Unlike the highly stable and widely utilized binary oxides such as ZnO or Al2O3, Cr2Hf2O8 exists in a metastable state, which often allows for more reactive surface sites compared to the more inert, traditional spinel MgAl2O4. While perovskite-structured catalysts like LaMnO3 or LaNiO3 are frequently studied for their redox capabilities, Cr2Hf2O8 offers a different structural framework that may provide unique selectivity in chemical transformations.

Explore

Related Compounds

Other Spinel Oxide Catalysts in the database.

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

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