CoP2
CoP2 is a stable semiconducting transition-metal phosphide used as a catalyst in electrochemical research.
About CoP2
CoP2 is a semiconducting transition-metal phosphide that occupies a stable position on the thermodynamic convex hull. Its structural versatility is highlighted by a high number of reported configurations across major materials databases, reflecting its significance in solid-state chemistry.
As a member of the transition-metal phosphide family, this compound is primarily investigated for its catalytic potential. Its electronic properties and structural stability make it a compelling candidate for electrochemical processes where efficient charge transport and robust phase integrity are required.
Key Properties
Cross-validated computational properties for CoP2, aggregated across 5 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 CoP2. 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 CoP2, 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. |
|---|---|---|---|---|---|
| — | — | 0.55 | 0.0000 | -0.702 | — |
| P21/c (No. 14) | monoclinic | 0.44 | 0.0000 | -10.919 | 5.19 |
| P21/c (No. 14) | monoclinic | 0.43 | 0.0000 | -0.539 | — |
| — | — | 0.00 | 0.2178 | -0.485 | — |
| — | — | 0.00 | 1.3627 | 0.660 | — |
| P1 (No. 1) | triclinic | — | — | — | 3.89 |
| P1 (No. 1) | triclinic | — | — | — | 3.26 |
| P-1 (No. 2) | triclinic | — | — | — | 3.67 |
| P-1 (No. 2) | triclinic | — | — | — | 3.58 |
| P-1 (No. 2) | triclinic | — | — | — | 3.51 |
| P-1 (No. 2) | triclinic | — | — | — | 3.14 |
| P-1 (No. 2) | triclinic | — | — | — | 4.68 |
Applications
Where CoP2 is used.
Patent Landscape
1 patent reference CoP2 or close compositional variants.
| Patent | Title | Assignee | Granted |
|---|---|---|---|
| 8940656 | CoP2 loaded red phosphorus, preparation and use of the same | — | — |
Frequently Asked Questions
Common questions about CoP2, answered from cross-validated data.
What is CoP2?
CoP2 is a stable semiconducting transition-metal phosphide used as a catalyst in electrochemical research.
What is CoP2 used for?
What is the band gap of CoP2?
Is CoP2 a metal, semiconductor, or insulator?
Is CoP2 thermodynamically stable?
What is the crystal structure of CoP2?
What is the density of CoP2?
How many polymorphs of CoP2 are known?
What elements does CoP2 contain?
Where does the data for CoP2 come from?
How It Compares
Within the transition-metal phosphide catalysts class.
Within the diverse family of transition-metal phosphides, CoP2 stands out as a stable semiconducting alternative to more metallic counterparts like Ni2P. While materials such as FeP2 share similar stoichiometry and structural complexity, CoP2 offers distinct electronic characteristics that differentiate its performance in catalytic environments compared to the simpler CoP phase.
Related Compounds
Other Transition-Metal Phosphide 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.
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