Na4MnO4
Na4MnO4 is a thermodynamically stable, semiconducting sodium manganese oxide used in materials science research for its potential in energy storage technologies.
About Na4MnO4
Na4MnO4 is a sodium-rich transition-metal oxide characterized by its stable structural configuration. As a member of the layered oxide family, it exhibits semiconducting electronic behavior, making it a subject of interest for researchers investigating ion-conducting materials and advanced battery architectures. Its position on the thermodynamic convex hull highlights its inherent structural robustness under standard conditions. This compound serves as a critical model for understanding the interplay between sodium content and transition-metal oxidation states within complex oxide frameworks. Its structural diversity is underscored by multiple documented configurations across materials databases, providing a foundation for exploring potential electrochemical applications in next-generation sodium-ion storage systems.
Key Properties
Cross-validated computational properties for Na4MnO4, 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 Na4MnO4. 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 Na4MnO4, 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. |
|---|---|---|---|---|---|
| P-1 (No. 2) | triclinic | 0.65 | 0.0006 | -5.557 | 2.96 |
| P-1 (No. 2) | triclinic | 0.15 | 0.0093 | -1.751 | — |
| Pc (No. 7) | monoclinic | 0.73 | 0.0566 | -5.501 | 2.55 |
| Pc (No. 7) | monoclinic | 0.30 | 0.0691 | -1.691 | — |
| — | — | 0.00 | 0.1415 | -1.589 | — |
| P-1 (No. 2) | triclinic | — | — | — | 2.95 |
| P-1 (No. 2) | triclinic | — | — | — | 2.88 |
| P-1 (No. 2) | triclinic | — | — | — | 2.78 |
Applications
Where Na4MnO4 is used.
Frequently Asked Questions
Common questions about Na4MnO4, answered from cross-validated data.
What is Na4MnO4?
Na4MnO4 is a thermodynamically stable, semiconducting sodium manganese oxide used in materials science research for its potential in energy storage technologies.
What is Na4MnO4 used for?
What is the band gap of Na4MnO4?
Is Na4MnO4 a metal, semiconductor, or insulator?
Is Na4MnO4 thermodynamically stable?
What is the crystal structure of Na4MnO4?
What is the density of Na4MnO4?
How many polymorphs of Na4MnO4 are known?
What elements does Na4MnO4 contain?
Where does the data for Na4MnO4 come from?
How It Compares
Within the layered sodium transition-metal oxides class.
Within the class of layered sodium transition-metal oxides, Na4MnO4 occupies a distinct niche compared to more conventional cathode materials like NaMnO2 or NaCoO2. While many of its siblings are primarily studied for their intercalation properties in battery electrodes, the higher sodium-to-metal ratio in Na4MnO4 influences its electronic character and structural stability, setting it apart from the stoichiometry typically seen in NaFeO2 or Na2TiO3.
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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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