CoSb2
CoSb2 is a metallic, metastable transition metal antimonide that serves as a key reference point in the study of skutterudite-related materials.
About CoSb2
CoSb2 is a metallic compound belonging to the skutterudite family of materials. As a metastable phase, it represents a specialized structural configuration that provides insight into the complex bonding behaviors within the cobalt-antimony system.
Its metallic nature distinguishes it from the semiconducting members of the skutterudite class, making it a subject of significant interest for researchers investigating electronic transport properties. The compound is frequently studied to understand the phase stability and structural evolution of transition metal pnictides.
Key Properties
Cross-validated computational properties for CoSb2, 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.
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 CoSb2, 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. |
|---|---|---|---|---|---|
| P21/c (No. 14) | monoclinic | 0.00 | 0.0306 | -21.650 | 8.35 |
| Pnnm (No. 58) | orthorhombic | 0.00 | 0.0406 | -21.640 | 8.34 |
| P21/c (No. 14) | Monoclinic | — | — | — | 8.51 |
| Pnnm (No. 58) | — | — | — | — | — |
| P1 (No. 1) | Triclinic | — | — | — | 6.65 |
| P1 (No. 1) | Triclinic | — | — | — | 6.65 |
| P-1 (No. 2) | Triclinic | — | — | — | 6.37 |
| P21/m (No. 11) | Monoclinic | — | — | — | 6.05 |
| C2/m (No. 12) | Monoclinic | — | — | — | 5.53 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.19 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.60 |
| Pnnm (No. 58) | Orthorhombic | — | — | — | 8.36 |
Applications
Where CoSb2 is used.
Frequently Asked Questions
Common questions about CoSb2, answered from cross-validated data.
What is CoSb2?
CoSb2 is a metallic, metastable transition metal antimonide that serves as a key reference point in the study of skutterudite-related materials.
What is CoSb2 used for?
What is the band gap of CoSb2?
Is CoSb2 a metal, semiconductor, or insulator?
Is CoSb2 thermodynamically stable?
What is the crystal structure of CoSb2?
What is the density of CoSb2?
How many polymorphs of CoSb2 are known?
What elements does CoSb2 contain?
Where does the data for CoSb2 come from?
How It Compares
Within the skutterudite thermoelectrics class.
Within the skutterudite and related pnictide classes, CoSb2 occupies a distinct niche compared to more stable or semiconducting counterparts like FeP2 or CoP2. While many members of this group are prized for their potential in thermoelectric energy conversion due to their favorable band structures, CoSb2 is primarily recognized for its metallic behavior and metastable nature, which sets it apart from the more commonly utilized semiconducting pnictides.
Related Compounds
Other Skutterudite Thermoelectrics in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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