CoP2O7
Cobalt pyrophosphate
CoP2O7 is a semiconducting cobalt-based pyrophosphate oxide primarily investigated for its potential as a catalyst in oxygen-evolution reactions.
About Cobalt pyrophosphate
Cobalt pyrophosphate is a semiconducting oxide that serves as a specialized oxygen-evolution catalyst. Its unique structural arrangement makes it a subject of interest for researchers studying efficient water-splitting reactions and electrochemical energy conversion systems. As a metastable phase, this compound offers distinct reactivity profiles compared to more common stable oxides. Its electronic properties are highly tuned for catalytic applications where charge transfer at the electrode interface is critical for performance.
Key Properties
Cross-validated computational properties for Cobalt 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.
Reported Structures
Lowest-energy structures reported for CoP2O7, 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 | 0.00 | 0.0628 | -7.341 | 3.25 |
| P21/c (No. 14) | monoclinic | 0.00 | 0.0846 | -7.319 | 3.34 |
| C2 (No. 5) | monoclinic | 0.00 | 0.0855 | -7.318 | 3.21 |
| P-1 (No. 2) | triclinic | 0.00 | 0.0859 | -7.318 | 2.95 |
| C2/c (No. 15) | monoclinic | 0.00 | 0.0861 | -7.318 | 3.40 |
| P21 (No. 4) | monoclinic | 0.00 | 0.0876 | -7.316 | 2.87 |
| P21 (No. 4) | monoclinic | 0.00 | 0.0876 | -7.316 | 2.91 |
| P-1 (No. 2) | triclinic | 0.00 | 0.0907 | -7.313 | 2.71 |
| P-1 (No. 2) | triclinic | 0.00 | 0.0962 | -7.308 | 2.88 |
| P1 (No. 1) | triclinic | 0.00 | 0.1045 | -7.299 | 3.23 |
| P21/c (No. 14) | monoclinic | 0.35 | 0.1067 | -7.297 | 2.87 |
| P-1 (No. 2) | triclinic | 0.00 | 0.1107 | -7.293 | 3.05 |
Applications
Where Cobalt pyrophosphate is used.
Frequently Asked Questions
Common questions about Cobalt pyrophosphate, answered from cross-validated data.
What is CoP2O7?
CoP2O7 is a semiconducting cobalt-based pyrophosphate oxide primarily investigated for its potential as a catalyst in oxygen-evolution reactions.
What is CoP2O7 used for?
What is the band gap of CoP2O7?
Is CoP2O7 a metal, semiconductor, or insulator?
Is CoP2O7 thermodynamically stable?
What is the crystal structure of CoP2O7?
What is the density of CoP2O7?
How many polymorphs of CoP2O7 are known?
What elements does CoP2O7 contain?
Where does the data for CoP2O7 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Within the diverse landscape of oxygen-evolution catalysts, CoP2O7 occupies a niche position distinct from the well-characterized transition metal oxides like LiCoO2 or NiO. While many class members such as LaNiO3 or LaMnO3 rely on complex perovskite architectures, this pyrophosphate utilizes a phosphate-based framework that provides a different chemical environment for catalytic activity, offering an alternative pathway for oxygen evolution compared to the standard spinel or layered structures found in LiMn2O4.
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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