Na2MnO2
Na2MnO2 is a semiconducting layered oxide material investigated for its potential role in next-generation sodium-ion battery electrodes.
About Na2MnO2
Na2MnO2 belongs to the family of layered sodium transition-metal oxides, characterized by its semiconducting electronic structure. Its status as a near-hull material suggests it is a viable target for experimental synthesis and potential integration into electrochemical systems.
This compound is primarily studied for its structural properties and potential utility in sodium-ion battery technologies. As a member of the sodium-manganese-oxygen system, it provides a platform for exploring ion diffusion pathways and redox stability in layered oxide frameworks.
Key Properties
Cross-validated computational properties for Na2MnO2, 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 Na2MnO2. 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 Na2MnO2, 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. |
|---|---|---|---|---|---|
| — | — | 0.61 | 0.0000 | -1.716 | — |
| C2/c (No. 15) | monoclinic | 0.27 | 0.0056 | -6.034 | 3.38 |
| Ibam (No. 72) | orthorhombic | 0.00 | 0.0292 | -6.010 | 3.03 |
| P21/c (No. 14) | monoclinic | 0.57 | 0.0355 | -6.004 | 2.87 |
| C2/m (No. 12) | monoclinic | 0.55 | 0.0389 | -6.000 | 2.98 |
| P2 (No. 3) | monoclinic | 0.06 | 0.0861 | -1.498 | — |
| — | — | 0.00 | 0.1010 | -1.615 | — |
| C2/c (No. 15) | monoclinic | 0.02 | 0.1311 | -1.453 | — |
| — | — | 0.86 | 0.1579 | -1.558 | — |
| C2/m (No. 12) | monoclinic | — | — | — | 2.98 |
| Ibam (No. 72) | orthorhombic | — | — | — | 3.13 |
| Ibam (No. 72) | orthorhombic | — | — | — | 3.15 |
Applications
Where Na2MnO2 is used.
Frequently Asked Questions
Common questions about Na2MnO2, answered from cross-validated data.
What is Na2MnO2?
Na2MnO2 is a semiconducting layered oxide material investigated for its potential role in next-generation sodium-ion battery electrodes.
What is Na2MnO2 used for?
What is the band gap of Na2MnO2?
Is Na2MnO2 a metal, semiconductor, or insulator?
Is Na2MnO2 thermodynamically stable?
What is the crystal structure of Na2MnO2?
What is the density of Na2MnO2?
How many polymorphs of Na2MnO2 are known?
What elements does Na2MnO2 contain?
Where does the data for Na2MnO2 come from?
How It Compares
Within the layered sodium transition-metal oxides class.
Within the broader class of layered sodium transition-metal oxides, Na2MnO2 occupies a unique niche compared to more common cathode materials like NaMnO2 or NaCoO2. While NaMnO2 is a well-established layered oxide, Na2MnO2 represents a distinct stoichiometry that challenges standard structural models, offering a different perspective on sodium-rich transition metal oxide stability.
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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