Mn6OF11
Mn6OF11 is a semiconducting oxide material designed for use as a catalyst in oxygen-evolution reactions.
About Mn6OF11
Mn6OF11 is a semiconducting oxide compound that functions within the class of oxygen-evolution catalysts. Its structural configuration and electronic properties make it a compelling candidate for exploring efficient water-splitting reactions in electrochemical systems. The material is characterized as being near-hull, suggesting that it is likely synthesizable under appropriate laboratory conditions. This potential for experimental realization is supported by its presence across multiple structural databases, highlighting its significance in materials discovery. As a specialized oxide, it contributes to the broader effort of developing stable and active catalysts for sustainable energy technologies.
Key Properties
Cross-validated computational properties for Mn6OF11, 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 Mn6OF11, 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 | 1.21 | 0.0210 | -7.349 | 4.11 |
| Amm2 (No. 38) | orthorhombic | 0.06 | 0.0316 | -7.338 | 3.81 |
| P21 (No. 4) | monoclinic | 0.26 | 0.0323 | -7.338 | 3.89 |
| P2 (No. 3) | monoclinic | 0.29 | 0.0335 | -7.337 | 3.90 |
| C2 (No. 5) | monoclinic | 0.00 | 0.0344 | -7.336 | 3.82 |
| P1 (No. 1) | triclinic | 0.03 | 0.0345 | -7.336 | 3.89 |
| Amm2 (No. 38) | orthorhombic | 0.00 | 0.0353 | -7.335 | 3.83 |
| Cm (No. 8) | monoclinic | 0.26 | 0.0353 | -7.335 | 3.84 |
| P1 (No. 1) | triclinic | 0.38 | 0.0356 | -7.334 | 3.83 |
| P1 (No. 1) | triclinic | 0.08 | 0.0364 | -7.334 | 3.89 |
| P2 (No. 3) | monoclinic | 0.00 | 0.0372 | -7.333 | 3.88 |
| Amm2 (No. 38) | orthorhombic | 0.00 | 0.0375 | -7.333 | 3.81 |
Applications
Where Mn6OF11 is used.
Frequently Asked Questions
Common questions about Mn6OF11, answered from cross-validated data.
What is Mn6OF11?
Mn6OF11 is a semiconducting oxide material designed for use as a catalyst in oxygen-evolution reactions.
What is Mn6OF11 used for?
What is the band gap of Mn6OF11?
Is Mn6OF11 a metal, semiconductor, or insulator?
Is Mn6OF11 thermodynamically stable?
What is the crystal structure of Mn6OF11?
What is the density of Mn6OF11?
How many polymorphs of Mn6OF11 are known?
What elements does Mn6OF11 contain?
Where does the data for Mn6OF11 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Unlike the well-established battery cathode materials such as LiCoO2 or LiMn2O4, which are widely utilized for their lithium intercalation properties, Mn6OF11 is positioned specifically within the oxygen-evolution catalyst domain. While perovskite-structured oxides like LaMnO3 are frequently studied for their catalytic activity, Mn6OF11 offers a distinct structural chemistry that differentiates it from the more common transition metal oxides like NiO, providing a unique platform for investigating catalytic performance in oxygen-evolving environments.
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).
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