ZnSnO2

ZnSnO2 is a semiconducting oxide catalyst that exists as a metastable phase within the broader family of spinel-related materials.

Crystal structure of ZnSnO2 (triclinic, P-1 (No. 2))
Ground-state structure · Materials Project
Overview

About ZnSnO2

ZnSnO2 is a semiconducting oxide that belongs to the broader category of spinel-related catalysts. Its synthesis and characterization are of significant interest to researchers exploring complex metal-oxide systems for advanced chemical processing and electronic applications. Despite its complex structural landscape, which is evidenced by numerous reported configurations in material databases, the compound remains a subject of study for its potential to facilitate specific catalytic reactions. Its thermodynamic profile, characterized as being above the hull, suggests that it is a metastable phase requiring precise synthesis conditions.

At a glance

Key Properties

Cross-validated computational properties for ZnSnO2, aggregated across 3 databases.

Band Gap

0.02–2.27 eV
Range across DFT structures

Energy Above Hull

0.100 eV/atom
Best (lowest) across sources

Stability

Above hull
2 DFT sources

Structures

36
3 databases, 13 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for ZnSnO2, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
P-1 (No. 2)triclinic1.550.1004-5.4015.57
Cm (No. 8)monoclinic0.880.1021-5.9325.85
Imma (No. 74)orthorhombic1.230.1238-5.9116.23
Cm (No. 8)monoclinic1.010.1340-5.9006.19
Cm (No. 8)monoclinic0.740.1453-6.2165.77
P2/c (No. 13)monoclinic2.270.1491-5.8855.15
P1 (No. 1)triclinic1.200.1498-5.3525.27
Cm (No. 8)monoclinic0.000.1761-6.1856.11
P-1 (No. 2)triclinic1.270.1989-5.3035.53
R-3m (No. 166)trigonal0.440.2144-6.1475.95
R3m (No. 160)trigonal0.070.2174-5.8176.19
P1 (No. 1)triclinic0.000.2272-5.2745.26
Uses

Applications

Where ZnSnO2 is used.

Catalytic researchSemiconductor developmentMaterials science exploration
Reference

Frequently Asked Questions

Common questions about ZnSnO2, answered from cross-validated data.

What is ZnSnO2?

ZnSnO2 is a semiconducting oxide catalyst that exists as a metastable phase within the broader family of spinel-related materials.

More questions
What is ZnSnO2 used for?
ZnSnO2 is used in catalytic research, semiconductor development, and materials science exploration.
What is the band gap of ZnSnO2?
ZnSnO2 has a DFT-computed band gap of 0.02–2.27 eV across 36 reported structures.
Is ZnSnO2 a metal, semiconductor, or insulator?
With a band gap up to 2.27 eV it is a semiconductor.
Is ZnSnO2 thermodynamically stable?
ZnSnO2 has a lowest energy above hull of 0.100 eV/atom (above hull).
What is the crystal structure of ZnSnO2?
The lowest-energy reported polymorph of ZnSnO2 is triclinic symmetry, space group P-1 (No. 2).
What is the density of ZnSnO2?
The computed density of the ground-state structure of ZnSnO2 is 5.57 g/cm³.
How many polymorphs of ZnSnO2 are known?
36 structures of ZnSnO2 are reported across 3 databases, spanning 13 distinct space groups.
What elements does ZnSnO2 contain?
ZnSnO2 contains O, Sn, and Zn (3 elements).
Where does the data for ZnSnO2 come from?
ZnSnO2 data is cross-referenced from materials_project, mpaloe.
Comparison

How It Compares

Within the spinel oxide catalysts class.

Within the diverse family of spinel and related oxide catalysts, ZnSnO2 occupies a distinct position compared to highly stable, well-characterized materials like MgAl2O4 or simple binary oxides such as ZnO. While many members of this class are valued for their robust thermodynamic stability and predictable performance, ZnSnO2 represents a more challenging, metastable candidate that offers unique electronic properties for specialized catalytic environments.

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.

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