NaMnO2
sodium manganese dioxide · sodium manganite
NaMnO2 is a stable, semiconducting layered oxide utilized primarily as a functional material in sodium-ion battery research.
About sodium manganese dioxide
NaMnO2 is a prominent member of the layered sodium transition-metal oxide family, characterized by its semiconducting electronic nature. As a thermodynamically stable phase residing on the convex hull, it maintains structural integrity, which is essential for its role in electrochemical energy storage systems.
Its layered architecture facilitates the reversible intercalation of sodium ions, making it a subject of extensive research for next-generation battery technologies. With numerous reported structures documented across various databases, it remains one of the most thoroughly investigated materials in its class for high-performance cathode applications.
Key Properties
Cross-validated computational properties for sodium manganese dioxide, 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 NaMnO2. 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 NaMnO2, 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. |
|---|---|---|---|---|---|
| C2/m (No. 12) | monoclinic | 0.96 | 0.0000 | -7.126 | 4.25 |
| Pmmn (No. 59) | orthorhombic | 0.55 | 0.0000 | -1.873 | — |
| — | — | 1.29 | 0.0028 | -2.020 | — |
| — | — | 1.24 | 0.0057 | -2.017 | — |
| C2/m (No. 12) | monoclinic | 0.81 | 0.0090 | -1.864 | — |
| Pmmn (No. 59) | orthorhombic | 0.61 | 0.0129 | -1.860 | — |
| Pmmn (No. 59) | orthorhombic | 0.62 | 0.0129 | -7.113 | 4.24 |
| Cmcm (No. 63) | orthorhombic | 0.68 | 0.0130 | -1.860 | — |
| Cmcm (No. 63) | orthorhombic | 1.25 | 0.0143 | -7.111 | 4.23 |
| P-1 (No. 2) | triclinic | 1.23 | 0.0243 | -7.101 | 4.00 |
| — | — | 1.24 | 0.0298 | -1.993 | — |
| I41/amd (No. 141) | tetragonal | 1.17 | 0.0305 | -7.095 | 4.07 |
Synthesis Routes
Literature-extracted synthesis procedures targeting NaMnO2.
Applications
Where sodium manganese dioxide is used.
Frequently Asked Questions
Common questions about sodium manganese dioxide, answered from cross-validated data.
What is NaMnO2?
NaMnO2 is a stable, semiconducting layered oxide utilized primarily as a functional material in sodium-ion battery research.
What is NaMnO2 used for?
What is the band gap of NaMnO2?
Is NaMnO2 a metal, semiconductor, or insulator?
Is NaMnO2 thermodynamically stable?
What is the crystal structure of NaMnO2?
What is the density of NaMnO2?
How many polymorphs of NaMnO2 are known?
How is NaMnO2 synthesized?
What elements does NaMnO2 contain?
Where does the data for NaMnO2 come from?
Related Research
How It Compares
Within the layered sodium transition-metal oxides class.
Within the broader family of layered sodium transition-metal oxides, NaMnO2 is distinguished by its favorable thermodynamic stability compared to more complex variants like Na2Ti3O7. While materials such as NaCoO2 are widely recognized for their high conductivity, NaMnO2 offers a more abundant and cost-effective alternative, positioning it as a strategic focus for sustainable energy storage solutions.
Related Compounds
Other Layered Sodium Transition-Metal Oxides in the database.
Data sources & attribution
- 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)
- 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)
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