Mn2PO5
Mn2PO5 is a stable semiconducting oxide compound utilized in the study of oxygen-evolution catalysis.
About Mn2PO5
Mn2PO5 is a semiconducting oxide that sits on the thermodynamic convex hull, indicating significant structural stability. As a member of the oxygen-evolution catalyst class, it represents a specialized inorganic framework that researchers study to understand catalytic pathways in electrochemical systems.
Its utility is supported by a rich structural landscape, with numerous reported configurations across multiple databases. This complexity makes it a compelling subject for investigations into how transition metal-based oxides facilitate the oxygen-evolution reaction in energy storage and conversion technologies.
Key Properties
Cross-validated computational properties for Mn2PO5, 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 Mn2PO5, 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. |
|---|---|---|---|---|---|
| Pnnm (No. 58) | orthorhombic | 0.23 | 0.0008 | -8.473 | 3.54 |
| Pnma (No. 62) | orthorhombic | 0.00 | 0.0009 | -8.473 | 3.91 |
| P-1 (No. 2) | triclinic | 0.29 | 0.0009 | -8.473 | 4.14 |
| Pnma (No. 62) | orthorhombic | 0.88 | 0.0036 | -8.471 | 3.86 |
| C2/c (No. 15) | monoclinic | 0.51 | 0.0067 | -8.468 | 4.12 |
| C2/c (No. 15) | monoclinic | 0.43 | 0.0294 | -8.445 | 3.82 |
| I41/amd (No. 141) | tetragonal | 0.00 | 0.0295 | -8.445 | 3.83 |
| P-1 (No. 2) | triclinic | 0.69 | 0.0399 | -8.434 | 3.70 |
| P21/c (No. 14) | monoclinic | 0.85 | 0.0594 | -8.415 | 4.17 |
| P21/c (No. 14) | monoclinic | 0.03 | 0.4529 | -8.021 | 3.89 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 3.64 |
| I41/amd (No. 141) | — | — | — | — | — |
Applications
Where Mn2PO5 is used.
Frequently Asked Questions
Common questions about Mn2PO5, answered from cross-validated data.
What is Mn2PO5?
Mn2PO5 is a stable semiconducting oxide compound utilized in the study of oxygen-evolution catalysis.
What is Mn2PO5 used for?
What is the band gap of Mn2PO5?
Is Mn2PO5 a metal, semiconductor, or insulator?
Is Mn2PO5 thermodynamically stable?
What is the crystal structure of Mn2PO5?
What is the density of Mn2PO5?
How many polymorphs of Mn2PO5 are known?
What elements does Mn2PO5 contain?
Where does the data for Mn2PO5 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Within the broader class of oxygen-evolution catalysts, Mn2PO5 occupies a distinct niche compared to well-known battery cathode materials like LiMn2O4 or perovskite-structured oxides such as LaMnO3. While many of its siblings are primarily utilized for their intercalation properties or specific magnetic and electronic behaviors, Mn2PO5 is characterized by its unique phosphate-oxide framework, offering a different structural approach to catalytic surface 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).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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