Na2ZnO2
sodium zincate · sodium zinc oxide
Sodium zincate is a stable, semiconducting oxide compound often used as a precursor in the synthesis of advanced functional materials.
About sodium zincate
Sodium zincate is a thermodynamically stable inorganic compound that functions as a semiconducting oxide. Its position on the convex hull ensures structural integrity, making it a subject of interest for researchers investigating new transparent conducting materials.
This material is primarily utilized in specialized chemical synthesis and as a precursor in the development of advanced functional oxides. Its electronic character allows it to serve as a building block in the design of thin-film components where optical transparency and conductivity are required.
Key Properties
Cross-validated computational properties for sodium zincate, 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 Na2ZnO2. 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 Na2ZnO2, 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. |
|---|---|---|---|---|---|
| — | — | 1.69 | 0.0000 | -1.591 | — |
| P21/c (No. 14) | monoclinic | 1.46 | 0.0000 | -4.415 | 3.69 |
| — | — | 1.62 | 0.0051 | -1.586 | — |
| — | — | 1.62 | 0.0174 | -1.574 | — |
| Immm (No. 71) | orthorhombic | 0.42 | 0.0779 | -1.455 | — |
| — | — | 0.00 | 0.1296 | -1.462 | — |
| P21/c (No. 14) | monoclinic | — | — | — | 3.66 |
| P21/c (No. 14) | monoclinic | — | — | — | 3.49 |
| P21/c (No. 14) | monoclinic | — | — | — | 3.67 |
Applications
Where sodium zincate is used.
Frequently Asked Questions
Common questions about sodium zincate, answered from cross-validated data.
What is Na2ZnO2?
Sodium zincate is a stable, semiconducting oxide compound often used as a precursor in the synthesis of advanced functional materials.
What is Na2ZnO2 used for?
What is the band gap of Na2ZnO2?
Is Na2ZnO2 a metal, semiconductor, or insulator?
Is Na2ZnO2 thermodynamically stable?
What is the crystal structure of Na2ZnO2?
What is the density of Na2ZnO2?
How many polymorphs of Na2ZnO2 are known?
What elements does Na2ZnO2 contain?
Where does the data for Na2ZnO2 come from?
How It Compares
Within the transparent conducting oxides class.
Within the diverse family of transparent conducting oxides, Na2ZnO2 offers a distinct chemical composition compared to binary counterparts like ZnO. While many complex oxides such as ZnGa2O4 or BaSnO3 are widely recognized for their performance in optoelectronics, sodium zincate provides a unique alkali-metal-rich framework that differentiates it from the more common spinel or perovskite-structured members of the class.
Related Compounds
Other Transparent Conducting Oxides in the database.
Data sources & attribution
- 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)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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