Mn16O48P16
Mn16O48P16 is a thermodynamically stable semiconducting oxide used as a catalyst in oxygen-evolution reactions.
About Mn16O48P16
Mn16O48P16 is a semiconducting oxide that functions as a catalyst for oxygen-evolution reactions. Its structural integrity is highlighted by its status as a thermodynamically stable phase on the convex hull, making it a robust candidate for electrochemical applications.
This material is part of a diverse group of transition metal-based oxides designed to facilitate efficient gas evolution. Its electronic properties and stable composition allow it to serve as a functional component in catalytic systems where durability and consistent performance are required.
Key Properties
Cross-validated computational properties for Mn16O48P16, aggregated across 2 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 Mn16O48P16, 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. |
|---|---|---|---|---|---|
| C2/c (No. 15) | monoclinic | 2.30 | 0.0000 | -8.115 | 3.55 |
| Cc (No. 9) | monoclinic | 1.31 | 0.0000 | -7.894 | 3.51 |
| Cc (No. 9) | monoclinic | 1.42 | 0.0087 | -7.885 | 3.24 |
| P212121 (No. 19) | orthorhombic | 1.80 | 0.0107 | -7.883 | 3.62 |
| Pbcn (No. 60) | orthorhombic | 1.27 | 0.0211 | -7.711 | 3.14 |
| P21 (No. 4) | monoclinic | 0.44 | 0.0371 | -7.695 | 3.09 |
| C2/c (No. 15) | monoclinic | 0.58 | 0.0444 | -7.688 | 3.12 |
| P-1 (No. 2) | triclinic | 1.39 | 0.0456 | -7.848 | 3.28 |
| P-1 (No. 2) | triclinic | 1.15 | 0.0460 | -7.848 | 3.26 |
| P-1 (No. 2) | triclinic | 0.00 | 0.0524 | -7.680 | 3.34 |
| C2/m (No. 12) | monoclinic | 0.00 | 0.0538 | -7.678 | 2.89 |
| C2/c (No. 15) | monoclinic | 0.00 | 0.0557 | -7.677 | 3.28 |
Applications
Where Mn16O48P16 is used.
Frequently Asked Questions
Common questions about Mn16O48P16, answered from cross-validated data.
What is Mn16O48P16?
Mn16O48P16 is a thermodynamically stable semiconducting oxide used as a catalyst in oxygen-evolution reactions.
What is Mn16O48P16 used for?
What is the band gap of Mn16O48P16?
Is Mn16O48P16 a metal, semiconductor, or insulator?
Is Mn16O48P16 thermodynamically stable?
What is the crystal structure of Mn16O48P16?
What is the density of Mn16O48P16?
How many polymorphs of Mn16O48P16 are known?
What elements does Mn16O48P16 contain?
Where does the data for Mn16O48P16 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Within the class of oxygen-evolution catalysts, Mn16O48P16 distinguishes itself from well-known lithium-intercalation oxides like LiCoO2 and LiMn2O4 by its unique phosphate-rich framework. While perovskite-structured materials such as LaMnO3 are frequently studied for their high catalytic activity, this manganese-based phosphate offers a different structural pathway for oxygen exchange compared to simpler binary oxides like NiO.
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).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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