NaMnO4
sodium permanganate
Sodium permanganate is a metastable, semiconducting transition-metal oxide widely recognized for its powerful oxidizing capabilities in chemical synthesis.
About sodium permanganate
Sodium permanganate is a semiconducting member of the layered sodium transition-metal oxide family. Characterized by its metastable nature, this compound represents a complex chemical system with multiple documented structural configurations, highlighting its versatility in inorganic synthesis and research. Its unique electronic structure makes it a subject of interest for those studying transition-metal oxides and their potential for structural transformation. As a potent oxidizing agent, it plays a critical role in various industrial and laboratory processes, leveraging the high reactivity of the manganese center within the sodium-oxygen framework. Its ability to participate in diverse chemical reactions stems from the interplay between the alkali metal cation and the transition metal oxide layers.
Key Properties
Cross-validated computational properties for sodium permanganate, 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 NaMnO4. 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 NaMnO4, 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. |
|---|---|---|---|---|---|
| Cmcm (No. 63) | orthorhombic | 1.73 | 0.0000 | -1.591 | — |
| Cmcm (No. 63) | orthorhombic | 1.75 | 0.0129 | -1.578 | — |
| Cmcm (No. 63) | orthorhombic | 1.92 | 0.0636 | -6.433 | 2.51 |
| P21/c (No. 14) | monoclinic | 1.91 | 0.0681 | -6.429 | 2.68 |
| — | — | 1.90 | 0.1978 | -1.264 | — |
| Pnma (No. 62) | orthorhombic | 0.00 | 0.3518 | -6.145 | 2.42 |
| P21/c (No. 14) | monoclinic | — | — | — | 2.84 |
| P21/c (No. 14) | monoclinic | — | — | — | 2.72 |
| Cmcm (No. 63) | orthorhombic | — | — | — | 2.54 |
| P21/c (No. 14) | monoclinic | — | — | — | 2.68 |
| Cmcm (No. 63) | orthorhombic | — | — | — | 2.51 |
| Cmcm (No. 63) | orthorhombic | — | — | — | 2.64 |
Applications
Where sodium permanganate is used.
Frequently Asked Questions
Common questions about sodium permanganate, answered from cross-validated data.
What is NaMnO4?
Sodium permanganate is a metastable, semiconducting transition-metal oxide widely recognized for its powerful oxidizing capabilities in chemical synthesis.
What is NaMnO4 used for?
What is the band gap of NaMnO4?
Is NaMnO4 a metal, semiconductor, or insulator?
Is NaMnO4 thermodynamically stable?
What is the crystal structure of NaMnO4?
How many polymorphs of NaMnO4 are known?
What elements does NaMnO4 contain?
Where does the data for NaMnO4 come from?
How It Compares
Within the layered sodium transition-metal oxides class.
Within the broader family of layered sodium transition-metal oxides, NaMnO4 stands out as a more reactive and metastable alternative to more structurally robust members like NaFeO2 or NaCoO2. While compounds such as NaMnO2 or NaNiO2 are often studied for their stable layered architectures in battery applications, NaMnO4 occupies a distinct niche due to its higher oxidation state and tendency toward metastable phases, making it less suitable for long-term electrochemical cycling but highly effective for chemical oxidation tasks.
Related Compounds
Other Layered Sodium Transition-Metal Oxides in the database.
Data sources & attribution
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- 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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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