Cr3AgO8

Cr3AgO8 is a stable, semiconducting ternary oxide material frequently investigated for its catalytic properties within the broader spinel family.

Crystal structure of Cr3AgO8 (monoclinic, C2/m (No. 12))
Ground-state structure · Materials Project
Overview

About Cr3AgO8

Cr3AgO8 is a distinct member of the spinel oxide catalyst family, characterized by its semiconducting electronic nature. As a thermodynamically stable phase residing on the convex hull, it represents a robust structural arrangement that maintains integrity under various conditions. Its unique composition of silver and chromium oxides makes it a subject of interest for advanced material research.

This compound is primarily studied for its potential roles in chemical conversion processes where surface reactivity is paramount. Given its stability and electronic profile, it serves as a specialized candidate for researchers looking to tune catalytic performance through precise elemental substitution within the spinel framework.

At a glance

Key Properties

Cross-validated computational properties for Cr3AgO8, aggregated across 3 databases.

Band Gap

1.24 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

6
3 databases, 1 space group
Crystallography

Reported Structures

Lowest-energy structures reported for Cr3AgO8, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
C2/m (No. 12)monoclinic1.240.0000-7.5914.11
C2/m (No. 12)
C2/m (No. 12)Monoclinic3.75
C2/m (No. 12)
C2/m (No. 12)Monoclinic4.12
C2/m (No. 12)Monoclinic3.88
Uses

Applications

Where Cr3AgO8 is used.

Chemical catalysisMaterials science researchSurface chemistry studies
Reference

Frequently Asked Questions

Common questions about Cr3AgO8, answered from cross-validated data.

What is Cr3AgO8?

Cr3AgO8 is a stable, semiconducting ternary oxide material frequently investigated for its catalytic properties within the broader spinel family.

More questions
What is Cr3AgO8 used for?
Cr3AgO8 is used in chemical catalysis, materials science research, and surface chemistry studies.
What is the band gap of Cr3AgO8?
Cr3AgO8 has a DFT-computed band gap of 1.24 eV across 6 reported structures.
Is Cr3AgO8 a metal, semiconductor, or insulator?
With a band gap up to 1.24 eV it is a semiconductor.
Is Cr3AgO8 thermodynamically stable?
Yes — Cr3AgO8 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Cr3AgO8?
The lowest-energy reported polymorph of Cr3AgO8 is monoclinic symmetry, space group C2/m (No. 12).
What is the density of Cr3AgO8?
The computed density of the ground-state structure of Cr3AgO8 is 4.11 g/cm³.
How many polymorphs of Cr3AgO8 are known?
6 structures of Cr3AgO8 are reported across 3 databases, spanning 1 distinct space group.
What elements does Cr3AgO8 contain?
Cr3AgO8 contains Ag, Cr, and O (3 elements).
Where does the data for Cr3AgO8 come from?
Cr3AgO8 data is cross-referenced from materials_project, jarvis, mpaloe.
Comparison

How It Compares

Within the spinel oxide catalysts class.

Unlike the widely utilized binary oxides such as ZnO or NiO, Cr3AgO8 offers a more complex structural environment typical of ternary spinel systems. While it shares the fundamental spinel-related oxide architecture with materials like MgAl2O4, its specific electronic character distinguishes it from the insulating nature of many simple spinels, positioning it as a functional alternative to more common perovskite-based catalysts like LaMnO3.

Explore

Related Compounds

Other Spinel Oxide Catalysts in the database.

Data sources & attribution
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
  • mpaloe — Data from mpaloe.

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