CoS
cobalt monosulfide · cobalt sulfide
Cobalt monosulfide is a metallic, metastable compound of cobalt and sulfur widely researched for its potential in advanced energy storage and catalytic technologies.
About cobalt monosulfide
Cobalt monosulfide is a metallic compound composed of cobalt and sulfur. As a metastable material with a high degree of structural diversity, it is frequently investigated for its unique electronic properties and potential to facilitate efficient charge transfer in electrochemical systems.
Its metallic nature makes it a subject of significant interest for researchers developing advanced electrode materials. The material is widely studied for its role in catalysis and energy conversion, where its ability to maintain structural integrity while providing high conductivity is highly valued.
Key Properties
Cross-validated computational properties for cobalt monosulfide, 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 CoS. 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 CoS, 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 | 0.0452 | -0.574 | — |
| P4/nmm (No. 129) | tetragonal | 0.00 | 0.0845 | -11.010 | 4.59 |
| — | — | 0.00 | 0.1106 | -0.508 | — |
| — | — | 0.00 | 0.1448 | -0.474 | — |
| — | — | 0.00 | 0.1591 | -0.460 | — |
| — | — | 0.00 | 0.1699 | -0.449 | — |
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.1800 | -0.360 | — |
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.1849 | -10.910 | 6.06 |
| — | — | 0.00 | 0.1938 | -0.425 | — |
| — | — | 0.00 | 0.1939 | -0.425 | — |
| — | — | 0.00 | 0.3082 | -0.311 | — |
| — | — | 0.00 | 0.3359 | -0.283 | — |
Synthesis Routes
Literature-extracted synthesis procedures targeting CoS.
Applications
Where cobalt monosulfide is used.
Patent Landscape
1 patent reference CoS or close compositional variants.
| Patent | Title | Assignee | Granted |
|---|---|---|---|
| 7626117 | Electrode having a CoS layer thereon, process or preparation and uses thereof | — | — |
Frequently Asked Questions
Common questions about cobalt monosulfide, answered from cross-validated data.
What is CoS?
Cobalt monosulfide is a metallic, metastable compound of cobalt and sulfur widely researched for its potential in advanced energy storage and catalytic technologies.
What is CoS used for?
What is the band gap of CoS?
Is CoS a metal, semiconductor, or insulator?
Is CoS thermodynamically stable?
How many polymorphs of CoS are known?
How is CoS synthesized?
What elements does CoS contain?
Where does the data for CoS come from?
How It Compares
As a standalone representative of its class, cobalt monosulfide serves as a primary benchmark for understanding the behavior of metastable transition metal sulfides. Its metallic character distinguishes it from insulating sulfides, positioning it as a versatile candidate for applications requiring rapid electron transport.
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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