Co2P2O7
Cobalt pyrophosphate · Cobalt(II) pyrophosphate
Cobalt pyrophosphate is a stable, semiconducting inorganic oxide utilized primarily as a catalyst for oxygen-evolution reactions in electrochemical applications.
About Cobalt pyrophosphate
Cobalt pyrophosphate is a thermodynamically stable inorganic compound characterized by its semiconducting electronic nature. As a member of the oxide oxygen-evolution catalyst family, it plays a vital role in electrochemical research focused on water splitting and energy conversion technologies. Its structural robustness is highlighted by its presence on the convex hull, indicating significant thermodynamic stability under standard conditions. The material has been extensively characterized across multiple structural databases, reflecting its importance in materials science. Researchers utilize its specific electronic properties to explore efficient pathways for oxygen evolution, aiming to improve the kinetics of electrochemical reactions in sustainable energy systems.
Key Properties
Cross-validated computational properties for Cobalt pyrophosphate, aggregated across 4 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 Co2P2O7, 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. |
|---|---|---|---|---|---|
| P21/c (No. 14) | monoclinic | 2.08 | 0.0000 | -7.681 | 4.14 |
| P21/c (No. 14) | monoclinic | 2.40 | 0.0021 | -7.679 | 4.04 |
| P-1 (No. 2) | triclinic | 0.94 | 0.0084 | -7.673 | 4.12 |
| C2 (No. 5) | monoclinic | 0.31 | 0.0084 | -7.673 | 4.13 |
| C2/m (No. 12) | monoclinic | 0.94 | 0.0121 | -7.669 | 3.95 |
| No. 0 | unknown | — | — | — | 1.00 |
| P21/c (No. 14) | Monoclinic | — | — | — | 3.94 |
| P21/c (No. 14) | Monoclinic | — | — | — | 4.25 |
| P21/c (No. 14) | Monoclinic | — | — | — | 4.04 |
| P21/c (No. 14) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| P-1 (No. 2) | — | — | — | — | — |
Applications
Where Cobalt pyrophosphate is used.
Frequently Asked Questions
Common questions about Cobalt pyrophosphate, answered from cross-validated data.
What is Co2P2O7?
Cobalt pyrophosphate is a stable, semiconducting inorganic oxide utilized primarily as a catalyst for oxygen-evolution reactions in electrochemical applications.
What is Co2P2O7 used for?
What is the band gap of Co2P2O7?
Is Co2P2O7 a metal, semiconductor, or insulator?
Is Co2P2O7 thermodynamically stable?
What is the crystal structure of Co2P2O7?
What is the density of Co2P2O7?
How many polymorphs of Co2P2O7 are known?
What elements does Co2P2O7 contain?
Where does the data for Co2P2O7 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Within the class of oxide oxygen-evolution catalysts, cobalt pyrophosphate offers a distinct structural framework compared to transition metal oxides like NiO or layered materials such as LiCoO2. While many members of this class rely on simple perovskite or spinel geometries, this pyrophosphate provides a unique polyanionic environment that influences its catalytic behavior and electronic performance differently than the more common binary oxides or lithium-based intercalation compounds.
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).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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