Na14Mn2O9
Na14Mn2O9 is a thermodynamically stable, semiconducting layered oxide containing sodium, manganese, and oxygen.
About Na14Mn2O9
Na14Mn2O9 is a distinct member of the layered sodium transition-metal oxide family, characterized by its semiconducting electronic structure. As a thermodynamically stable phase residing on the convex hull, it represents a robust configuration within this complex chemical system.
This compound is of significant interest to researchers investigating sodium-based ion transport and structural stability in battery electrodes. Its specific atomic arrangement provides a unique platform for studying the interplay between alkali metal ions and transition metal frameworks in oxide materials.
Key Properties
Cross-validated computational properties for Na14Mn2O9, 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 Na14Mn2O9. 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 Na14Mn2O9, 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. |
|---|---|---|---|---|---|
| — | — | 1.08 | 0.0000 | -1.563 | — |
| P-3 (No. 147) | trigonal | 0.56 | 0.0000 | -4.811 | 2.74 |
| P-3 (No. 147) | trigonal | 0.06 | 0.0277 | -1.464 | — |
| P-3 (No. 147) | trigonal | 0.20 | 0.0450 | -1.447 | — |
| P-3 (No. 147) | trigonal | — | — | — | 2.58 |
| P-3 (No. 147) | trigonal | — | — | — | 2.70 |
| P-3 (No. 147) | trigonal | — | — | — | 2.72 |
| P-3 (No. 147) | trigonal | — | — | — | 2.65 |
Applications
Where Na14Mn2O9 is used.
Frequently Asked Questions
Common questions about Na14Mn2O9, answered from cross-validated data.
What is Na14Mn2O9?
Na14Mn2O9 is a thermodynamically stable, semiconducting layered oxide containing sodium, manganese, and oxygen.
What is Na14Mn2O9 used for?
What is the band gap of Na14Mn2O9?
Is Na14Mn2O9 a metal, semiconductor, or insulator?
Is Na14Mn2O9 thermodynamically stable?
What is the crystal structure of Na14Mn2O9?
What is the density of Na14Mn2O9?
How many polymorphs of Na14Mn2O9 are known?
What elements does Na14Mn2O9 contain?
Where does the data for Na14Mn2O9 come from?
How It Compares
Within the layered sodium transition-metal oxides class.
Within the broader class of layered sodium transition-metal oxides, Na14Mn2O9 occupies a specialized niche compared to more common cathode materials like NaMnO2 or NaCoO2. While many siblings in this family are focused on high-capacity electrochemical cycling, this particular stoichiometry highlights the structural diversity possible when balancing sodium content against manganese-oxygen frameworks, distinguishing it from the more traditional layered structures seen in NaFeO2 or Na2TiO3.
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.
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
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