Co2P
Co2P is a stable, metallic transition-metal phosphide used primarily as a catalyst in chemical synthesis and energy conversion processes.
About Co2P
Co2P is a metallic transition-metal phosphide that occupies a stable position on the thermodynamic convex hull. Its robust electronic structure makes it a highly significant candidate for catalytic processes where durability and efficient charge transport are essential requirements for performance. Given its status as a well-documented material with numerous reported structures, it serves as a foundational compound for exploring phosphorus-based catalytic systems. Its stability ensures it remains a reliable subject for researchers aiming to optimize chemical transformation pathways in harsh environments.
Key Properties
Cross-validated computational properties for Co2P, aggregated across 6 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 Co2P. 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 Co2P, 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. |
|---|---|---|---|---|---|
| Pnma (No. 62) | orthorhombic | 0.00 | 0.0000 | -12.230 | 7.77 |
| Pnma (No. 62) | orthorhombic | 0.00 | 0.0000 | -0.485 | — |
| — | — | 0.00 | 0.0000 | -0.667 | — |
| P-62m (No. 189) | hexagonal | 0.00 | 0.0212 | -12.209 | 7.82 |
| P-62m (No. 189) | hexagonal | 0.00 | 0.0259 | -0.459 | — |
| — | — | 0.00 | 0.0489 | -0.618 | — |
| — | — | 0.00 | 0.0734 | -0.593 | — |
| — | — | 0.00 | 0.0885 | -0.578 | — |
| — | — | 0.00 | 0.5320 | -0.135 | — |
| — | — | 0.00 | 1.0077 | 0.341 | — |
| — | — | 0.00 | 1.9959 | 1.329 | — |
| Pnma (No. 62) | orthorhombic | — | — | — | 7.46 |
Applications
Where Co2P is used.
Frequently Asked Questions
Common questions about Co2P, answered from cross-validated data.
What is Co2P?
Co2P is a stable, metallic transition-metal phosphide used primarily as a catalyst in chemical synthesis and energy conversion processes.
What is Co2P used for?
What is the band gap of Co2P?
Is Co2P a metal, semiconductor, or insulator?
Is Co2P thermodynamically stable?
What is the crystal structure of Co2P?
What is the density of Co2P?
How many polymorphs of Co2P are known?
What elements does Co2P contain?
Where does the data for Co2P come from?
How It Compares
Within the transition-metal phosphide catalysts class.
Within the diverse family of transition-metal phosphides, Co2P stands out for its structural stability compared to more complex or volatile phases like NiP2 or FeP2. While materials such as Ni2P are frequently cited for their hydrogenation capabilities, Co2P provides a distinct electronic profile that complements the broader class, offering a unique balance of metallic conductivity and catalytic activity that differentiates it from its iron- or copper-based counterparts.
Related Compounds
Other Transition-Metal Phosphide Catalysts in the database.
Data sources & attribution
- 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)
- 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)
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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