ZnSnO3

zinc stannate · zinc tin trioxide

Zinc stannate is a semiconducting ternary oxide used primarily in catalytic and sensing technologies.

Crystal structure of ZnSnO3 (trigonal, R3c (No. 161))
Ground-state structure · Materials Project
Overview

About zinc stannate

ZnSnO3 is a semiconducting ternary oxide that functions as a notable member of the spinel-related catalyst family. Its unique electronic structure and chemical composition make it a subject of significant interest for researchers focusing on functional materials that require specific surface reactivity.

As a metastable compound, it offers distinct pathways for structural tuning during synthesis. This flexibility allows it to be utilized in high-performance applications where controlled electronic behavior is essential for efficient catalytic and sensing processes.

At a glance

Key Properties

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

Band Gap

1.08–1.32 eV
Range across DFT structures

Energy Above Hull

0.041 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

17
3 databases, 4 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for ZnSnO3, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
R3c (No. 161)trigonal1.080.0414-5.9626.56
R-3 (No. 148)trigonal1.320.0549-5.9496.46
Pnma (No. 62)orthorhombic1.110.0828-5.9216.67
Pm-3m (No. 221)cubic0.000.7129-5.2915.89
R-3 (No. 148)Trigonal6.71
R-3 (No. 148)
R-3 (No. 148)Trigonal6.46
Pnma (No. 62)Orthorhombic6.98
Pnma (No. 62)Orthorhombic7.29
R3c (No. 161)Trigonal6.83
R-3 (No. 148)Trigonal7.00
Pnma (No. 62)
Uses

Applications

Where zinc stannate is used.

Gas sensorsPhotocatalysisLithium-ion battery anodesTransparent conducting oxides
Reference

Frequently Asked Questions

Common questions about zinc stannate, answered from cross-validated data.

What is ZnSnO3?

Zinc stannate is a semiconducting ternary oxide used primarily in catalytic and sensing technologies.

More questions
What is ZnSnO3 used for?
zinc stannate (ZnSnO3) is used in gas sensors, photocatalysis, lithium-ion battery anodes, and transparent conducting oxides.
What is the band gap of ZnSnO3?
zinc stannate (ZnSnO3) has a DFT-computed band gap of 1.08–1.32 eV across 17 reported structures.
Is ZnSnO3 a metal, semiconductor, or insulator?
With a band gap up to 1.32 eV it is a semiconductor.
Is ZnSnO3 thermodynamically stable?
zinc stannate (ZnSnO3) has a lowest energy above hull of 0.041 eV/atom (metastable).
What is the crystal structure of ZnSnO3?
The lowest-energy reported polymorph of zinc stannate (ZnSnO3) is trigonal symmetry, space group R3c (No. 161).
What is the density of ZnSnO3?
The computed density of the ground-state structure of zinc stannate (ZnSnO3) is 6.56 g/cm³.
How many polymorphs of ZnSnO3 are known?
17 structures of ZnSnO3 are reported across 3 databases, spanning 4 distinct space groups.
What elements does ZnSnO3 contain?
zinc stannate (ZnSnO3) contains O, Sn, and Zn (3 elements).
Where does the data for ZnSnO3 come from?
ZnSnO3 data is cross-referenced from materials_project, mpaloe, jarvis.
Comparison

How It Compares

Within the spinel oxide catalysts class.

Unlike the highly stable binary oxides such as ZnO or NiO, ZnSnO3 exists in a metastable state that provides different opportunities for defect engineering. While complex perovskite-structured oxides like LaNiO3 or LaMnO3 are often studied for their magnetic and electronic transitions, ZnSnO3 is primarily valued for its potential in gas sensing and photocatalysis due to its specific semiconducting characteristics.

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).
  • mpaloe — Data from mpaloe.
  • jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).

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