CoSe
cobalt selenide · cobalt(II) selenide
Cobalt selenide is a metallic compound of cobalt and selenium known for its extensive structural diversity and potential in electrochemical applications.
About cobalt selenide
Cobalt selenide is a metallic binary compound composed of cobalt and selenium. It is characterized by its significant structural polymorphism, with a vast number of reported configurations across various materials databases, reflecting the complexity of its phase space.
While it exists in a metastable state relative to the ground state, its metallic nature and unique electronic properties make it a subject of interest for researchers investigating catalytic and energy-related materials. Its ability to adopt diverse structural arrangements allows for fine-tuning of its physical characteristics for specific technological needs.
Key Properties
Cross-validated computational properties for cobalt selenide, 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 CoSe. 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 CoSe, 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. |
|---|---|---|---|---|---|
| — | — | 0.00 | 0.0162 | -0.277 | — |
| P4/nmm (No. 129) | tetragonal | 0.00 | 0.0241 | -0.257 | — |
| — | — | 0.00 | 0.0832 | -0.210 | — |
| P4/nmm (No. 129) | tetragonal | 0.00 | 0.1206 | -13.958 | 6.38 |
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.1310 | -0.150 | — |
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.1348 | -13.944 | 7.80 |
| — | — | 0.00 | 0.1431 | -0.150 | — |
| — | — | 0.00 | 0.1432 | -0.150 | — |
| — | — | 0.00 | 0.2034 | -0.089 | — |
| — | — | 0.00 | 0.2231 | -0.070 | — |
| — | — | 0.00 | 0.3370 | 0.044 | — |
| — | — | 0.00 | 0.3433 | 0.050 | — |
Applications
Where cobalt selenide is used.
Frequently Asked Questions
Common questions about cobalt selenide, answered from cross-validated data.
What is CoSe?
Cobalt selenide is a metallic compound of cobalt and selenium known for its extensive structural diversity and potential in electrochemical applications.
What is CoSe used for?
What is the band gap of CoSe?
Is CoSe a metal, semiconductor, or insulator?
Is CoSe thermodynamically stable?
What is the crystal structure of CoSe?
How many polymorphs of CoSe are known?
What elements does CoSe contain?
Where does the data for CoSe come from?
How It Compares
As a member of the transition metal chalcogenide family, cobalt selenide serves as a representative example of how metallic binary compounds can exhibit high structural variability despite being thermodynamically metastable.
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)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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