CoS
Cobalt monosulfide · Cobalt(II) sulfide
Cobalt monosulfide is a dark-colored inorganic compound composed of cobalt and sulfur. It is primarily utilized in industrial catalysis and as a precursor material for the synthesis of various cobalt-based nanostructures.
CoS
Overview
Key Properties
Cross-validated computational properties for Cobalt monosulfide, 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.
Metallic / not reported
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.
0.085 eV/atom
Best (lowest) across sources
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.
Metastable
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
189
4 databases, 31 space groups
Validation
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.
1.00 / 1.00
Trust tier: medium
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
0.000 eV
EAH spread across sources
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
2
jarvis, materials_project
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
All match
Crystallography
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. |
|---|---|---|---|---|---|
| P4/nmm (No. 129) | tetragonal | 0.00 | 0.0845 | -11.010 | 4.59 |
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.1849 | -10.910 | 6.06 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 5.83 |
| No. 0 | unknown | — | — | — | 0.89 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 5.89 |
| No. 0 | unknown | — | — | — | 2.98 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 7.02 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 4.90 |
| P4/nmm (No. 129) | Tetragonal | — | — | — | 4.67 |
| Pbcm (No. 57) | Orthorhombic | — | — | — | 6.05 |
| Pbcm (No. 57) | Orthorhombic | — | — | — | 5.42 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.13 |
Uses
Applications
Where Cobalt monosulfide is used.
CatalysisEnergy storage researchSemiconductor material developmentChemical synthesis
Reference
Frequently Asked Questions
Common questions about Cobalt monosulfide, answered from cross-validated data.
What is CoS?
Cobalt monosulfide is a dark-colored inorganic compound composed of cobalt and sulfur. It is primarily utilized in industrial catalysis and as a precursor material for the synthesis of various cobalt-based nanostructures.
More questions
What is CoS used for?
Cobalt monosulfide (CoS) is used in catalysis, energy storage research, semiconductor material development, and chemical synthesis.
What is the band gap of CoS?
Cobalt monosulfide (CoS) is computed to be metallic (no band gap) in the reported DFT structures.
Is CoS a metal, semiconductor, or insulator?
Computed band structures report no gap, so it is metallic.
Is CoS thermodynamically stable?
Cobalt monosulfide (CoS) has a lowest energy above hull of 0.085 eV/atom (metastable).
What is the crystal structure of CoS?
The lowest-energy reported polymorph of Cobalt monosulfide (CoS) is tetragonal symmetry, space group P4/nmm (No. 129).
What is the density of CoS?
The computed density of the ground-state structure of Cobalt monosulfide (CoS) is 4.59 g/cm³.
How many polymorphs of CoS are known?
189 structures of CoS are reported across 4 databases, spanning 31 distinct space groups.
What elements does CoS contain?
Cobalt monosulfide (CoS) contains Co and S (2 elements).
Where does the data for CoS come from?
CoS data is cross-referenced from materials_project, mpaloe, cod.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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