Na2Zn2O3
Na2Zn2O3 is a thermodynamically stable semiconducting oxide that functions as a transparent conducting material for electronic applications.
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.
Key Properties
Cross-validated computational properties for Na2Zn2O3, aggregated across 3 databases.
Band GapEnergy needed to move an electron from the valence band to the conduction band. Lower or zero values tend to behave more metallic; larger gaps are more insulating or semiconducting.
Energy Above HullThermodynamic distance from the most stable set of competing phases. 0 eV/atom is on the convex hull; small positive values may still be experimentally accessible.
StabilityA plain-language summary of the best reported energy-above-hull result. It reflects whether the lowest-energy structure is on, near, or far from the stability hull.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of Na2Zn2O3. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for Na2Zn2O3, ranked by energy above hull.
| Space GroupSymmetry classification of the crystal arrangement. The number is the international space-group index. | Crystal SystemBroad lattice family, such as cubic, tetragonal, monoclinic, or triclinic, derived from unit-cell symmetry. | Band Gap (eV)Electronic gap calculated for this specific reported structure, measured in electronvolts. | E above hull (eV/atom)Thermodynamic distance from the convex hull for this structure, normalized per atom. Lower is generally more stable. | E/atom (eV)Computed total energy normalized per atom. Use energy above hull, not this value alone, when comparing stability. | Density (g/cm³)Mass per relaxed crystal volume, reported in grams per cubic centimeter. |
|---|---|---|---|---|---|
| P43212 (No. 96) | tetragonal | 1.48 | 0.0000 | -1.576 | — |
| — | — | 1.42 | 0.0000 | -1.625 | — |
| P43212 (No. 96) | tetragonal | 1.25 | 0.0000 | -4.569 | 4.21 |
| — | — | 1.32 | 0.0044 | -1.621 | — |
| P21/c (No. 14) | monoclinic | 1.28 | 0.0049 | -1.572 | — |
| P21/c (No. 14) | monoclinic | 1.05 | 0.0069 | -4.562 | 4.20 |
| P21/c (No. 14) | monoclinic | — | — | — | 4.13 |
| P21/c (No. 14) | monoclinic | — | — | — | 4.18 |
| P43212 (No. 96) | tetragonal | — | — | — | 4.18 |
| P21/c (No. 14) | monoclinic | — | — | — | 3.99 |
| P43212 (No. 96) | tetragonal | — | — | — | 3.99 |
| P43212 (No. 96) | tetragonal | — | — | — | 4.22 |
Applications
Where Na2Zn2O3 is used.
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.
What is Na2Zn2O3 used for?
What is the band gap of Na2Zn2O3?
Is Na2Zn2O3 a metal, semiconductor, or insulator?
Is Na2Zn2O3 thermodynamically stable?
What is the crystal structure of Na2Zn2O3?
How many polymorphs of Na2Zn2O3 are known?
What elements does Na2Zn2O3 contain?
Where does the data for Na2Zn2O3 come from?
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.
Related Compounds
Other Transparent Conducting Oxides in the database.
Data sources & attribution
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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