Mn2P2O7
Manganese pyrophosphate · Manganese(II) pyrophosphate
Mn2P2O7 is a stable, insulating manganese-based phosphate compound frequently studied for its structural diversity and potential roles in electrochemical catalysis.
About Manganese pyrophosphate
Manganese pyrophosphate is a stable inorganic compound that functions within the broader category of oxide-based oxygen-evolution catalysts. As a wide-band-gap insulator, it maintains a robust structural framework, positioning it as a significant subject for research into catalytic efficiency and material durability in electrochemical systems. Its presence on the thermodynamic convex hull underscores its inherent stability under standard conditions. The material has been extensively characterized, with numerous distinct structural configurations documented across major materials databases, highlighting its versatile coordination chemistry. This structural diversity is critical for understanding how manganese-based oxides participate in complex surface reactions.
Key Properties
Cross-validated computational properties for Manganese pyrophosphate, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of Mn2P2O7. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for Mn2P2O7, 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. |
|---|---|---|---|---|---|
| — | — | 3.49 | 0.0000 | -2.532 | — |
| C2/m (No. 12) | monoclinic | 2.29 | 0.0000 | -8.381 | 3.76 |
| C2/m (No. 12) | monoclinic | 1.60 | 0.0000 | -2.066 | — |
| C2 (No. 5) | monoclinic | 2.83 | 0.0002 | -8.381 | 3.59 |
| P21/c (No. 14) | monoclinic | 3.29 | 0.0006 | -8.380 | 3.79 |
| — | — | 3.56 | 0.0037 | -2.528 | — |
| — | — | 3.52 | 0.0040 | -2.528 | — |
| C2/m (No. 12) | monoclinic | 1.72 | 0.0058 | -2.061 | — |
| C2/m (No. 12) | monoclinic | — | — | — | 3.88 |
| P21/c (No. 14) | monoclinic | — | — | — | 3.90 |
| P21/c (No. 14) | monoclinic | — | — | — | 3.61 |
| C2 (No. 5) | monoclinic | — | — | — | 3.88 |
Synthesis Routes
Literature-extracted synthesis procedures targeting Mn2P2O7.
Applications
Where Manganese pyrophosphate is used.
Frequently Asked Questions
Common questions about Manganese pyrophosphate, answered from cross-validated data.
What is Mn2P2O7?
Mn2P2O7 is a stable, insulating manganese-based phosphate compound frequently studied for its structural diversity and potential roles in electrochemical catalysis.
What is Mn2P2O7 used for?
What is the band gap of Mn2P2O7?
Is Mn2P2O7 a metal, semiconductor, or insulator?
Is Mn2P2O7 thermodynamically stable?
What is the crystal structure of Mn2P2O7?
What is the density of Mn2P2O7?
How many polymorphs of Mn2P2O7 are known?
How is Mn2P2O7 synthesized?
What elements does Mn2P2O7 contain?
Where does the data for Mn2P2O7 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Unlike highly conductive transition metal oxides such as LaNiO3 or the layered lithium-based intercalation materials like LiCoO2 and LiMn2O4, Mn2P2O7 is characterized by its insulating electronic nature. While many members of the oxygen-evolution catalyst class rely on metallic or semi-metallic behavior to facilitate charge transfer, this pyrophosphate offers a different structural pathway, serving as a stable, non-metallic alternative to the more commonly studied perovskite-type oxides like LaMnO3 or BiFeO3.
Related Compounds
Other Oxide Oxygen-Evolution Catalysts in the database.
Data sources & attribution
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
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