AgO2Zn

AgO2Zn is a metastable semiconducting spinel oxide used in specialized catalytic research.

Overview

About AgO2Zn

AgO2Zn is a semiconducting spinel oxide that represents a complex intersection of transition metal chemistry. As a metastable phase, it holds significant interest for researchers investigating non-equilibrium material synthesis and the tuning of electronic properties in oxide systems.

This compound is primarily studied for its potential in catalytic applications where its unique electronic structure can facilitate specific chemical transformations. Its existence as a metastable material makes it a subject of intense focus for understanding phase stability and structural evolution in spinel-based catalysts.

At a glance

Key Properties

Cross-validated computational properties for AgO2Zn, aggregated across 2 databases.

Band Gap

0.12–0.25 eV
Range across DFT structures

Energy Above Hull

0.069 eV/atom
Best (lowest) across sources

Stability

Metastable
1 DFT source

Structures

16
2 databases, 13 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for AgO2Zn, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
I41/amd (No. 141)tetragonal0.220.0689-4.5306.04
Fddd (No. 70)orthorhombic0.240.0892-4.5106.09
Pbcm (No. 57)orthorhombic0.200.1055-4.4936.99
I41/a (No. 88)tetragonal0.000.1204-4.4796.62
Imma (No. 74)orthorhombic0.000.1355-4.4636.64
Cm (No. 8)monoclinic0.000.1360-4.4636.54
R3m (No. 160)trigonal0.000.1364-4.4636.53
Cm (No. 8)monoclinic0.000.1365-4.4626.53
P3m1 (No. 156)trigonal0.000.1471-4.4526.55
P-1 (No. 2)triclinic0.250.1496-4.4496.02
P3m1 (No. 156)trigonal0.000.1589-4.4406.53
Cmcm (No. 63)orthorhombic0.000.1674-4.4327.29
Uses

Applications

Where AgO2Zn is used.

Catalysis researchElectronic materials developmentAdvanced materials synthesis
Reference

Frequently Asked Questions

Common questions about AgO2Zn, answered from cross-validated data.

What is AgO2Zn?

AgO2Zn is a metastable semiconducting spinel oxide used in specialized catalytic research.

More questions
What is AgO2Zn used for?
AgO2Zn is used in catalysis research, electronic materials development, and advanced materials synthesis.
What is the band gap of AgO2Zn?
AgO2Zn has a DFT-computed band gap of 0.12–0.25 eV across 16 reported structures.
Is AgO2Zn a metal, semiconductor, or insulator?
With a band gap up to 0.25 eV it is a semiconductor.
Is AgO2Zn thermodynamically stable?
AgO2Zn has a lowest energy above hull of 0.069 eV/atom (metastable).
What is the crystal structure of AgO2Zn?
The lowest-energy reported polymorph of AgO2Zn is tetragonal symmetry, space group I41/amd (No. 141).
What is the density of AgO2Zn?
The computed density of the ground-state structure of AgO2Zn is 6.04 g/cm³.
How many polymorphs of AgO2Zn are known?
16 structures of AgO2Zn are reported across 2 databases, spanning 13 distinct space groups.
What elements does AgO2Zn contain?
AgO2Zn contains Ag, O, and Zn (3 elements).
Where does the data for AgO2Zn come from?
AgO2Zn data is cross-referenced from materials_project, nomad.
Comparison

How It Compares

Within the spinel oxide catalysts class.

Within the broad category of spinel oxides and related binary oxides like ZnO, NiO, and CuO, AgO2Zn occupies a distinct niche due to its metastable nature compared to the highly stable, common oxides like MgAl2O4 or Al2O3. While materials like LaMnO3 or LaNiO3 are frequently utilized for their robust perovskite-based catalytic activity, AgO2Zn offers a different structural pathway, providing a unique electronic environment that sets it apart from the more conventional binary and ternary oxides in this class.

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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).
  • nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).

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