Mn3NbO8
Mn3NbO8 is a semiconducting manganese niobium oxide being researched for its catalytic properties in oxygen-evolution reactions.
About Mn3NbO8
Mn3NbO8 is a semiconducting oxide that functions within the broader category of oxygen-evolution catalysts. Its unique composition of manganese and niobium offers a distinct electronic environment, making it a subject of interest for researchers exploring complex metal oxides for catalytic applications.
As a metastable phase, this compound represents a specialized material within the oxide family. Its structural flexibility and electronic properties are being evaluated to understand how it might facilitate chemical transformations in energy-related processes.
Key Properties
Cross-validated computational properties for Mn3NbO8, 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 Mn3NbO8, 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. |
|---|---|---|---|---|---|
| Cc (No. 9) | monoclinic | 0.53 | 0.0761 | -8.571 | 4.48 |
| P63mc (No. 186) | hexagonal | 0.00 | 0.0966 | -8.550 | 4.53 |
| P63mc (No. 186) | — | — | — | — | — |
| Cc (No. 9) | Monoclinic | — | — | — | 4.48 |
| Cc (No. 9) | Monoclinic | — | — | — | 4.72 |
| Cc (No. 9) | Monoclinic | — | — | — | 5.05 |
Applications
Where Mn3NbO8 is used.
Frequently Asked Questions
Common questions about Mn3NbO8, answered from cross-validated data.
What is Mn3NbO8?
Mn3NbO8 is a semiconducting manganese niobium oxide being researched for its catalytic properties in oxygen-evolution reactions.
What is Mn3NbO8 used for?
What is the band gap of Mn3NbO8?
Is Mn3NbO8 a metal, semiconductor, or insulator?
Is Mn3NbO8 thermodynamically stable?
What is the crystal structure of Mn3NbO8?
What is the density of Mn3NbO8?
How many polymorphs of Mn3NbO8 are known?
What elements does Mn3NbO8 contain?
Where does the data for Mn3NbO8 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Within the diverse landscape of oxygen-evolution catalysts, Mn3NbO8 occupies a niche position compared to more conventional materials like NiO or the widely studied spinel LiMn2O4. While many of its class members, such as LaMnO3 or BiFeO3, are characterized by their robust stability and well-mapped phase diagrams, Mn3NbO8 is distinguished by its metastable nature, offering a different structural pathway for catalytic activity.
Related Compounds
Other Oxide Oxygen-Evolution Catalysts in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
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