Na2Mn2O3
Na2Mn2O3 is a thermodynamically stable, semimetallic layered sodium transition-metal oxide used in advanced energy storage research.
About Na2Mn2O3
Na2Mn2O3 is a thermodynamically stable member of the layered sodium transition-metal oxide family. Situated on the convex hull, this material exhibits a robust structural framework that is highly relevant for researchers investigating advanced electrode materials. Its near-zero-gap electronic character distinguishes it as a semimetallic oxide, offering unique charge transport properties compared to typical insulating or semiconducting oxides in this class.
This compound is primarily studied for its potential in sodium-ion battery technologies, where its layered architecture facilitates the reversible insertion and extraction of sodium ions. Given its structural stability and electronic behavior, it serves as a critical candidate for optimizing the performance and longevity of next-generation electrochemical energy storage systems.
Key Properties
Cross-validated computational properties for Na2Mn2O3, 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 Na2Mn2O3. 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 Na2Mn2O3, 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. |
|---|---|---|---|---|---|
| — | — | 0.49 | 0.0000 | -1.820 | — |
| P43212 (No. 96) | tetragonal | 0.00 | 0.0000 | -6.916 | 3.56 |
| — | — | 0.00 | 0.0057 | -1.814 | — |
| P21/c (No. 14) | monoclinic | 0.03 | 0.0351 | -6.881 | 3.30 |
| P43212 (No. 96) | tetragonal | 0.00 | 0.2003 | -1.450 | — |
| P43212 (No. 96) | tetragonal | 0.00 | 0.2135 | -1.436 | — |
| P21/c (No. 14) | monoclinic | 0.00 | 0.2377 | -1.412 | — |
| P43212 (No. 96) | tetragonal | — | — | — | 3.47 |
| P21/c (No. 14) | monoclinic | — | — | — | 3.30 |
| P43212 (No. 96) | tetragonal | — | — | — | 3.40 |
| P21/c (No. 14) | monoclinic | — | — | — | 3.46 |
| P43212 (No. 96) | tetragonal | — | — | — | 3.57 |
Applications
Where Na2Mn2O3 is used.
Frequently Asked Questions
Common questions about Na2Mn2O3, answered from cross-validated data.
What is Na2Mn2O3?
Na2Mn2O3 is a thermodynamically stable, semimetallic layered sodium transition-metal oxide used in advanced energy storage research.
What is Na2Mn2O3 used for?
What is the band gap of Na2Mn2O3?
Is Na2Mn2O3 a metal, semiconductor, or insulator?
Is Na2Mn2O3 thermodynamically stable?
What is the crystal structure of Na2Mn2O3?
What is the density of Na2Mn2O3?
How many polymorphs of Na2Mn2O3 are known?
What elements does Na2Mn2O3 contain?
Where does the data for Na2Mn2O3 come from?
How It Compares
Within the layered sodium transition-metal oxides class.
Within the diverse family of layered sodium transition-metal oxides, Na2Mn2O3 occupies a distinct position due to its specific stoichiometry and semimetallic nature. While siblings like NaMnO2 and NaCoO2 are widely recognized for their well-defined electrochemical intercalation properties, Na2Mn2O3 provides a unique structural alternative that balances stability with electronic conductivity, broadening the design space for sodium-based cathode materials.
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)
- 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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