CoPO4
cobalt phosphate
CoPO4 is a stable semiconducting cobalt phosphate oxide primarily employed as a catalyst for the oxygen evolution reaction in electrochemical systems.
About cobalt phosphate
Cobalt phosphate is a thermodynamically stable oxide that functions as a semiconducting material. Its unique electronic properties make it a subject of significant interest for researchers investigating efficient pathways for electrochemical energy conversion.
As a member of the oxide oxygen-evolution catalyst class, this compound is primarily utilized in systems designed to facilitate the oxygen evolution reaction. Its structural robustness and electronic behavior contribute to its role in developing high-performance catalytic interfaces for sustainable energy technologies.
Key Properties
Cross-validated computational properties for cobalt phosphate, 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 CoPO4, 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. |
|---|---|---|---|---|---|
| P2/m (No. 10) | monoclinic | 0.48 | 0.0000 | -7.511 | 4.13 |
| Cc (No. 9) | monoclinic | 1.07 | 0.0302 | -7.481 | 2.79 |
| Pca21 (No. 29) | orthorhombic | 1.10 | 0.0303 | -7.481 | 2.77 |
| Pca21 (No. 29) | orthorhombic | 1.17 | 0.0308 | -7.480 | 2.75 |
| Pna21 (No. 33) | orthorhombic | 1.19 | 0.0319 | -7.479 | 2.93 |
| P21/c (No. 14) | monoclinic | 1.14 | 0.0338 | -7.477 | 2.68 |
| Pc (No. 7) | monoclinic | 1.02 | 0.0360 | -7.475 | 2.97 |
| Cmcm (No. 63) | orthorhombic | 0.28 | 0.0360 | -7.475 | 3.87 |
| Pna21 (No. 33) | orthorhombic | 0.67 | 0.0362 | -7.475 | 2.78 |
| R3 (No. 146) | trigonal | 1.13 | 0.0372 | -7.474 | 3.08 |
| P21/c (No. 14) | monoclinic | 1.24 | 0.0377 | -7.473 | 2.68 |
| P21/c (No. 14) | monoclinic | 1.13 | 0.0446 | -7.466 | 2.81 |
Applications
Where cobalt phosphate is used.
Frequently Asked Questions
Common questions about cobalt phosphate, answered from cross-validated data.
What is CoPO4?
CoPO4 is a stable semiconducting cobalt phosphate oxide primarily employed as a catalyst for the oxygen evolution reaction in electrochemical systems.
What is CoPO4 used for?
What is the band gap of CoPO4?
Is CoPO4 a metal, semiconductor, or insulator?
Is CoPO4 thermodynamically stable?
What is the crystal structure of CoPO4?
What is the density of CoPO4?
How many polymorphs of CoPO4 are known?
What elements does CoPO4 contain?
Where does the data for CoPO4 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Within the diverse landscape of oxide oxygen-evolution catalysts, CoPO4 occupies a distinct niche compared to transition metal oxides like NiO or complex layered structures such as LiCoO2. While many of its class members are primarily identified by their roles in battery cathode chemistry, CoPO4 is specifically valued for its catalytic activity in water oxidation, offering a different pathway for charge transfer compared to the perovskite-based oxides like LaMnO3.
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.
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