Cu3AsO7

Cu3AsO7 is a metastable, semiconducting oxide material primarily investigated for its potential utility in catalytic applications.

Crystal structure of Cu3AsO7 (triclinic, P1 (No. 1))
Ground-state structure · Materials Project
Overview

About Cu3AsO7

Cu3AsO7 is a complex oxide belonging to the broader family of spinel-related catalysts. As a semiconducting material, it exhibits distinct electronic properties that differentiate it from simple binary oxides, making it a subject of interest for researchers exploring non-traditional catalytic pathways.

Despite its metastable nature, this compound provides a unique structural framework for chemical reactivity. Its existence within a diverse class of oxides highlights the potential for tuning catalytic performance through precise compositional control and structural engineering.

At a glance

Key Properties

Cross-validated computational properties for Cu3AsO7, aggregated across 3 databases.

Band Gap

0.16 eV
Range across DFT structures

Energy Above Hull

0.055 eV/atom
Best (lowest) across sources

Stability

Metastable
1 DFT source

Structures

8
3 databases, 3 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for Cu3AsO7, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
P1 (No. 1)triclinic0.160.0550-5.7214.28
P21/c (No. 14)monoclinic0.000.1162-5.6604.49
No. 0unknown4.25
No. 0unknown1.10
P1 (No. 1)Triclinic4.28
P1 (No. 1)Triclinic4.41
No. 0unknown1.10
P1 (No. 1)Triclinic4.61
Uses

Applications

Where Cu3AsO7 is used.

Catalytic oxidation processesAdvanced materials researchChemical synthesis pathways
Reference

Frequently Asked Questions

Common questions about Cu3AsO7, answered from cross-validated data.

What is Cu3AsO7?

Cu3AsO7 is a metastable, semiconducting oxide material primarily investigated for its potential utility in catalytic applications.

More questions
What is Cu3AsO7 used for?
Cu3AsO7 is used in catalytic oxidation processes, advanced materials research, and chemical synthesis pathways.
What is the band gap of Cu3AsO7?
Cu3AsO7 has a DFT-computed band gap of 0.16 eV across 8 reported structures.
Is Cu3AsO7 a metal, semiconductor, or insulator?
With a band gap up to 0.16 eV it is a semiconductor.
Is Cu3AsO7 thermodynamically stable?
Cu3AsO7 has a lowest energy above hull of 0.055 eV/atom (metastable).
What is the crystal structure of Cu3AsO7?
The lowest-energy reported polymorph of Cu3AsO7 is triclinic symmetry, space group P1 (No. 1).
What is the density of Cu3AsO7?
The computed density of the ground-state structure of Cu3AsO7 is 4.28 g/cm³.
How many polymorphs of Cu3AsO7 are known?
8 structures of Cu3AsO7 are reported across 3 databases, spanning 3 distinct space groups.
What elements does Cu3AsO7 contain?
Cu3AsO7 contains As, Cu, and O (3 elements).
Where does the data for Cu3AsO7 come from?
Cu3AsO7 data is cross-referenced from materials_project, cod, mpaloe.
Comparison

How It Compares

Within the spinel oxide catalysts class.

In the context of spinel-related catalysts, Cu3AsO7 occupies a more specialized niche compared to highly stable, widely utilized materials like MgAl2O4 or simple binary oxides such as CuO and ZnO. While siblings like LaMnO3 are frequently studied for their robust perovskite-based catalytic activity, Cu3AsO7 represents a more complex, metastable alternative that offers different surface interaction profiles for specialized chemical processes.

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).
  • cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
  • mpaloe — Data from mpaloe.

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