CoP
cobalt monophosphide · cobalt phosphide
Cobalt monophosphide is a stable, metallic transition-metal phosphide used as a high-performance catalyst in electrochemical reactions.
About cobalt monophosphide
Cobalt monophosphide is a robust transition-metal phosphide that sits securely on the thermodynamic convex hull, indicating high structural stability. Its metallic electronic character makes it an excellent candidate for facilitating rapid charge transfer in catalytic environments.
Due to its favorable electronic properties and structural reliability, this compound is a subject of extensive investigation for its potential to replace precious metal catalysts. It is primarily utilized in electrochemical systems where efficient surface reactions are critical for performance.
Key Properties
Cross-validated computational properties for cobalt monophosphide, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of CoP. 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 CoP, 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 | -11.619 | 6.65 |
| P21/c (No. 14) | Monoclinic | — | — | — | 4.90 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.13 |
| P-1 (No. 2) | Triclinic | — | — | — | 5.76 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.39 |
| P-3m1 (No. 164) | Trigonal | — | — | — | 5.86 |
| P-3m1 (No. 164) | Trigonal | — | — | — | 5.19 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.79 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.93 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.96 |
| P1 (No. 1) | Triclinic | — | — | — | 3.11 |
| P-1 (No. 2) | Triclinic | — | — | — | 2.07 |
Applications
Where cobalt monophosphide is used.
Frequently Asked Questions
Common questions about cobalt monophosphide, answered from cross-validated data.
What is CoP?
Cobalt monophosphide is a stable, metallic transition-metal phosphide used as a high-performance catalyst in electrochemical reactions.
What is CoP used for?
What is the band gap of CoP?
Is CoP a metal, semiconductor, or insulator?
Is CoP thermodynamically stable?
What is the crystal structure of CoP?
What is the density of CoP?
How many polymorphs of CoP are known?
What elements does CoP contain?
Where does the data for CoP come from?
How It Compares
Within the transition-metal phosphide catalysts class.
Within the diverse family of transition-metal phosphides, CoP stands out as a highly stable and frequently studied alternative to other phosphides like Ni2P and FeP. While many members of this class exhibit varying degrees of metallic or semiconducting behavior, CoP is distinguished by its consistent metallic nature, which often provides superior conductivity compared to more complex phosphides like CoP2 or NiP2.
Related Compounds
Other Transition-Metal Phosphide 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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