CoSb
CoSb is a metallic, metastable binary compound composed of cobalt and antimony that is frequently studied within the context of skutterudite-related materials.
About CoSb
CoSb is a metallic compound belonging to the skutterudite-related family of materials. As a metastable phase, it represents a complex structural arrangement of cobalt and antimony atoms that is of significant interest for fundamental solid-state physics and materials discovery.
Its metallic nature distinguishes it from many of the high-performance semiconducting skutterudites often sought for energy conversion. With extensive structural data available across multiple databases, it serves as a critical reference point for understanding phase stability and chemical bonding in transition metal pnictides.
Key Properties
Cross-validated computational properties for CoSb, 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 CoSb. 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 CoSb, 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. |
|---|---|---|---|---|---|
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.0000 | -0.132 | — |
| — | — | 0.00 | 0.0000 | -0.174 | — |
| — | — | 0.00 | 0.0035 | -0.170 | — |
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.0597 | -19.509 | 9.09 |
| — | — | 0.00 | 0.1380 | -0.036 | — |
| — | — | 0.00 | 0.3357 | 0.162 | — |
| — | — | 0.00 | 0.3604 | 0.186 | — |
| — | — | 0.00 | 0.3979 | 0.224 | — |
| — | — | 0.00 | 0.4110 | 0.237 | — |
| — | — | 0.00 | 0.4591 | 0.285 | — |
| — | — | 0.00 | 0.4601 | 0.286 | — |
| — | — | 0.00 | 0.5653 | 0.391 | — |
Applications
Where CoSb is used.
Frequently Asked Questions
Common questions about CoSb, answered from cross-validated data.
What is CoSb?
CoSb is a metallic, metastable binary compound composed of cobalt and antimony that is frequently studied within the context of skutterudite-related materials.
What is CoSb used for?
What is the band gap of CoSb?
Is CoSb a metal, semiconductor, or insulator?
Is CoSb thermodynamically stable?
What is the crystal structure of CoSb?
How many polymorphs of CoSb are known?
What elements does CoSb contain?
Where does the data for CoSb come from?
How It Compares
Within the skutterudite thermoelectrics class.
Within the diverse group of skutterudite-related pnictides, CoSb occupies a unique structural niche compared to more common binary phases like FeP2 or NiP2. While many members of this class are investigated for their potential as semiconducting thermoelectrics, CoSb is characterized by its metallic electronic signature and metastable nature, setting it apart from the more stable, insulating or semiconducting phosphide counterparts.
Related Compounds
Other Skutterudite Thermoelectrics in the database.
Data sources & attribution
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- 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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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