NaMn2O4
NaMn2O4 is a stable, semiconducting layered oxide of sodium and manganese used in materials research for energy storage technologies.
About NaMn2O4
NaMn2O4 belongs to the class of layered sodium transition-metal oxides, characterized by its stable structural configuration on the convex hull. As a semiconducting material, it offers a robust framework for ion mobility, making it a subject of significant interest for next-generation electrochemical systems.
Its structural versatility is highlighted by the extensive number of reported configurations found in materials databases. This stability and electronic behavior position it as a promising candidate for research into efficient electrode materials for sodium-ion battery architectures.
Key Properties
Cross-validated computational properties for NaMn2O4, 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 NaMn2O4. 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 NaMn2O4, 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. |
|---|---|---|---|---|---|
| Pnma (No. 62) | orthorhombic | 0.40 | 0.0000 | -7.615 | 4.69 |
| — | — | 0.38 | 0.0000 | -1.959 | — |
| P2/m (No. 10) | monoclinic | 0.00 | 0.0000 | -1.894 | — |
| P2/m (No. 10) | monoclinic | 0.00 | 0.0014 | -1.893 | — |
| P-1 (No. 2) | triclinic | 0.66 | 0.0051 | -7.610 | 3.76 |
| Cc (No. 9) | monoclinic | 0.58 | 0.0216 | -7.593 | 3.71 |
| Fd-3m (No. 227) | cubic | 0.00 | 0.0225 | -1.872 | — |
| P2/c (No. 13) | monoclinic | 0.00 | 0.0252 | -7.590 | 3.73 |
| C2221 (No. 20) | orthorhombic | 0.51 | 0.0290 | -7.586 | 3.97 |
| — | — | 0.61 | 0.0296 | -1.929 | — |
| Imma (No. 74) | orthorhombic | 0.48 | 0.0300 | -7.585 | 3.98 |
| Fd-3m (No. 227) | cubic | 0.00 | 0.0348 | -1.860 | — |
Synthesis Routes
Literature-extracted synthesis procedures targeting NaMn2O4.
Applications
Where NaMn2O4 is used.
Frequently Asked Questions
Common questions about NaMn2O4, answered from cross-validated data.
What is NaMn2O4?
NaMn2O4 is a stable, semiconducting layered oxide of sodium and manganese used in materials research for energy storage technologies.
What is NaMn2O4 used for?
What is the band gap of NaMn2O4?
Is NaMn2O4 a metal, semiconductor, or insulator?
Is NaMn2O4 thermodynamically stable?
What is the crystal structure of NaMn2O4?
What is the density of NaMn2O4?
How many polymorphs of NaMn2O4 are known?
How is NaMn2O4 synthesized?
What elements does NaMn2O4 contain?
Where does the data for NaMn2O4 come from?
How It Compares
Within the layered sodium transition-metal oxides class.
Within the family of layered sodium transition-metal oxides, NaMn2O4 stands out for its thermodynamic stability compared to more volatile counterparts like NaNiO2 or NaCoO2. While many members of this class are explored for their specific redox potentials, this compound provides a distinct structural alternative to common materials like NaFeO2 and Na2TiO3, offering unique pathways for charge transport in battery applications.
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)
- 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)
- 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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