CoSe2
cobalt diselenide · cobalt(IV) selenide
Cobalt diselenide is a stable, metallic compound of cobalt and selenium widely studied for its potential in electrochemical and catalytic applications.
About cobalt diselenide
Cobalt diselenide is a metallic transition metal dichalcogenide that occupies a stable position on the convex hull. Its robust structural integrity and electronic properties make it a subject of extensive investigation across numerous experimental databases. The material is recognized for its potential in catalytic processes and electrochemical energy conversion systems. Its metallic nature facilitates efficient charge transfer, which is a critical requirement for high-performance electrode materials. By leveraging its thermodynamic stability, researchers can reliably incorporate this compound into complex architectures designed for demanding chemical environments.
Key Properties
Cross-validated computational properties for cobalt diselenide, 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.
Reported Structures
Lowest-energy structures reported for CoSe2, 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. |
|---|---|---|---|---|---|
| Pnnm (No. 58) | orthorhombic | 0.00 | 0.0000 | -14.298 | 6.90 |
| Pa-3 (No. 205) | cubic | 0.00 | 0.0116 | -14.287 | 7.07 |
| Fd-3m (No. 227) | cubic | 0.00 | 0.0734 | -14.225 | 6.30 |
| P2 (No. 3) | Monoclinic | — | — | — | 4.66 |
| C2/m (No. 12) | Monoclinic | — | — | — | 5.88 |
| Immm (No. 71) | Orthorhombic | — | — | — | 9.41 |
| C2/m (No. 12) | Monoclinic | — | — | — | 7.17 |
| P2/c (No. 13) | Monoclinic | — | — | — | 4.20 |
| C222 (No. 21) | Orthorhombic | — | — | — | 5.62 |
| C2/m (No. 12) | Monoclinic | — | — | — | 5.92 |
| Pmmn (No. 59) | Orthorhombic | — | — | — | 5.36 |
| P63/mmc (No. 194) | Hexagonal | — | — | — | 5.97 |
Applications
Where cobalt diselenide is used.
Frequently Asked Questions
Common questions about cobalt diselenide, answered from cross-validated data.
What is CoSe2?
Cobalt diselenide is a stable, metallic compound of cobalt and selenium widely studied for its potential in electrochemical and catalytic applications.
What is CoSe2 used for?
What is the band gap of CoSe2?
Is CoSe2 a metal, semiconductor, or insulator?
Is CoSe2 thermodynamically stable?
What is the crystal structure of CoSe2?
What is the density of CoSe2?
How many polymorphs of CoSe2 are known?
What elements does CoSe2 contain?
Where does the data for CoSe2 come from?
How It Compares
As a prominent member of the transition metal dichalcogenide family, cobalt diselenide serves as a benchmark for metallic behavior within this class. It is frequently studied for its ability to maintain structural stability under various synthesis conditions, distinguishing it as a reliable candidate for functional materials development compared to less stable chalcogenide counterparts.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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