Na2Zn2O3

Na2Zn2O3 is a thermodynamically stable semiconducting oxide that functions as a transparent conducting material for electronic applications.

Crystal structure of Na2Zn2O3 (tetragonal, P43212 (No. 96))
Ground-state structure · Materials Project
Overview

About Na2Zn2O3

Na2Zn2O3 is a semiconducting oxide that sits firmly on the convex hull, indicating its robust thermodynamic stability. As a member of the transparent conducting oxide class, it represents a specialized material system where the interplay between sodium, zinc, and oxygen creates unique electronic properties suitable for functional thin-film devices.

This compound is of significant interest to researchers exploring new transparent semiconductors. Its structural versatility is highlighted by its presence in multiple database entries, suggesting a stable framework that can be synthesized and utilized in advanced electronic architectures where optical transparency and conductive control are required.

At a glance

Key Properties

Cross-validated computational properties for Na2Zn2O3, aggregated across 3 databases.

Band Gap

1.06–1.25 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

10
3 databases, 2 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for Na2Zn2O3, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
P43212 (No. 96)tetragonal1.250.0000-4.5694.21
P21/c (No. 14)monoclinic1.060.0069-4.5624.20
P43212 (No. 96)
P21/c (No. 14)
P43212 (No. 96)Tetragonal3.99
P21/c (No. 14)Monoclinic4.18
P21/c (No. 14)Monoclinic4.22
P21/c (No. 14)Monoclinic3.99
P43212 (No. 96)Tetragonal4.22
P43212 (No. 96)Tetragonal4.18
Uses

Applications

Where Na2Zn2O3 is used.

Transparent electronicsSemiconductor thin-film researchOptoelectronic devices
Reference

Frequently Asked Questions

Common questions about Na2Zn2O3, answered from cross-validated data.

What is Na2Zn2O3?

Na2Zn2O3 is a thermodynamically stable semiconducting oxide that functions as a transparent conducting material for electronic applications.

More questions
What is Na2Zn2O3 used for?
Na2Zn2O3 is used in transparent electronics, semiconductor thin-film research, and optoelectronic devices.
What is the band gap of Na2Zn2O3?
Na2Zn2O3 has a DFT-computed band gap of 1.06–1.25 eV across 10 reported structures.
Is Na2Zn2O3 a metal, semiconductor, or insulator?
With a band gap up to 1.25 eV it is a semiconductor.
Is Na2Zn2O3 thermodynamically stable?
Yes — Na2Zn2O3 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Na2Zn2O3?
The lowest-energy reported polymorph of Na2Zn2O3 is tetragonal symmetry, space group P43212 (No. 96).
What is the density of Na2Zn2O3?
The computed density of the ground-state structure of Na2Zn2O3 is 4.21 g/cm³.
How many polymorphs of Na2Zn2O3 are known?
10 structures of Na2Zn2O3 are reported across 3 databases, spanning 2 distinct space groups.
What elements does Na2Zn2O3 contain?
Na2Zn2O3 contains Na, O, and Zn (3 elements).
Where does the data for Na2Zn2O3 come from?
Na2Zn2O3 data is cross-referenced from materials_project, jarvis, mpaloe.
Comparison

How It Compares

Within the transparent conducting oxides class.

Within the diverse family of transparent conducting oxides, Na2Zn2O3 occupies a distinct niche compared to widely recognized materials like ZnO. While ZnO is a foundational binary oxide known for its broad utility, Na2Zn2O3 offers a more complex ternary structural environment, providing researchers with an alternative platform to tune electronic behavior compared to more common spinel or perovskite structures like ZnGa2O4 or BaSnO3.

Explore

Related Compounds

Other Transparent Conducting Oxides 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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