Na2Co2O3
Na2Co2O3 is a semiconducting layered sodium transition-metal oxide being researched for its potential utility in energy storage technologies.
About Na2Co2O3
Na2Co2O3 is a layered sodium transition-metal oxide characterized by its semiconducting electronic structure. As a material that sits near the thermodynamic hull, it is considered a viable candidate for experimental synthesis and structural characterization within the broader family of sodium-based oxides.
This compound plays a significant role in the development of next-generation battery materials. Its layered architecture is of particular interest to researchers investigating ion mobility and structural stability in sodium-ion energy storage systems.
Key Properties
Cross-validated computational properties for Na2Co2O3, 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 Na2Co2O3. 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 Na2Co2O3, 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. |
|---|---|---|---|---|---|
| — | — | 0.96 | 0.0000 | -1.405 | — |
| P21/c (No. 14) | monoclinic | 0.77 | 0.0062 | -5.947 | 4.06 |
| C2/c (No. 15) | monoclinic | 1.16 | 0.0110 | -5.942 | 4.17 |
| C2/c (No. 15) | monoclinic | 0.00 | 0.2051 | -1.149 | — |
| P21/c (No. 14) | monoclinic | 0.00 | 0.2374 | -1.117 | — |
| P21/c (No. 14) | monoclinic | — | — | — | 4.00 |
| P21/c (No. 14) | monoclinic | — | — | — | 3.82 |
| P21/c (No. 14) | monoclinic | — | — | — | 4.03 |
| C2/c (No. 15) | monoclinic | — | — | — | 4.18 |
| C2/c (No. 15) | monoclinic | — | — | — | 3.92 |
| C2/c (No. 15) | monoclinic | — | — | — | 4.12 |
Applications
Where Na2Co2O3 is used.
Frequently Asked Questions
Common questions about Na2Co2O3, answered from cross-validated data.
What is Na2Co2O3?
Na2Co2O3 is a semiconducting layered sodium transition-metal oxide being researched for its potential utility in energy storage technologies.
What is Na2Co2O3 used for?
What is the band gap of Na2Co2O3?
Is Na2Co2O3 a metal, semiconductor, or insulator?
Is Na2Co2O3 thermodynamically stable?
What is the crystal structure of Na2Co2O3?
What is the density of Na2Co2O3?
How many polymorphs of Na2Co2O3 are known?
What elements does Na2Co2O3 contain?
Where does the data for Na2Co2O3 come from?
How It Compares
Within the layered sodium transition-metal oxides class.
Within the diverse group of layered sodium transition-metal oxides, Na2Co2O3 occupies a distinct position alongside well-studied members like NaCoO2 and NaNiO2. While many of its siblings are established benchmarks for cathode performance, Na2Co2O3 represents a specialized structural variant that offers unique insights into the cobalt-oxygen coordination environment compared to the more common stoichiometric phases.
Related Compounds
Other Layered Sodium Transition-Metal 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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