Mn2Na12O8
Mn2Na12O8 is a semiconducting sodium transition-metal oxide that serves as a potential candidate for high-performance electrochemical materials.
About Mn2Na12O8
Mn2Na12O8 is a semiconducting member of the layered sodium transition-metal oxide family. Its structural configuration and electronic properties make it a subject of interest for researchers investigating advanced materials for electrochemical energy storage. As a near-hull compound, it is considered a viable candidate for experimental synthesis. The existence of multiple reported structures across databases highlights its significance in the ongoing exploration of sodium-based oxide frameworks.
Key Properties
Cross-validated computational properties for Mn2Na12O8, 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.
Reported Structures
Lowest-energy structures reported for Mn2Na12O8, 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. |
|---|---|---|---|---|---|
| P42/nmc (No. 137) | tetragonal | 0.77 | 0.0124 | -4.910 | 2.68 |
| P63mc (No. 186) | hexagonal | 0.78 | 0.0183 | -4.905 | 2.91 |
| — | — | — | — | — | 2.69 |
| P63mc (No. 186) | — | — | — | — | — |
Applications
Where Mn2Na12O8 is used.
Frequently Asked Questions
Common questions about Mn2Na12O8, answered from cross-validated data.
What is Mn2Na12O8?
Mn2Na12O8 is a semiconducting sodium transition-metal oxide that serves as a potential candidate for high-performance electrochemical materials.
What is Mn2Na12O8 used for?
What is the band gap of Mn2Na12O8?
Is Mn2Na12O8 a metal, semiconductor, or insulator?
Is Mn2Na12O8 thermodynamically stable?
What is the crystal structure of Mn2Na12O8?
What is the density of Mn2Na12O8?
How many polymorphs of Mn2Na12O8 are known?
What elements does Mn2Na12O8 contain?
Where does the data for Mn2Na12O8 come from?
How It Compares
Within the layered sodium transition-metal oxides class.
Within the diverse class of layered sodium transition-metal oxides, Mn2Na12O8 occupies a distinct position compared to well-characterized materials like NaMnO2 or NaCoO2. While NaMnO2 is a foundational component in battery research, Mn2Na12O8 represents a more complex stoichiometry that challenges conventional structural paradigms, offering a unique electronic environment that differs from simpler oxides like NaFeO2 or NaTiO3.
Related Compounds
Other Layered Sodium Transition-Metal Oxides in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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