Co2Hf1Sb1
Co2Hf1Sb1 is a semiconducting ternary compound belonging to the skutterudite-related material class, primarily studied for its potential thermoelectric properties.
About Co2Hf1Sb1
Co2Hf1Sb1 is a complex ternary compound categorized within the skutterudite-related class of materials. Characterized by its semiconducting electronic nature, it represents a specialized composition within a family of materials widely investigated for their potential in solid-state energy harvesting applications. While it exhibits a diverse range of reported structural configurations, its thermodynamic state is positioned above the stability hull. This suggests that the phase may require specific synthesis conditions or kinetic stabilization to be realized in practical experimental settings.
Key Properties
Cross-validated computational properties for Co2Hf1Sb1, aggregated across 2 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 Co2Hf1Sb1, 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. |
|---|---|---|---|---|---|
| Immm (No. 71) | orthorhombic | 0.40 | 2.7664 | -21.875 | 0.96 |
| Cm (No. 8) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| I4/mmm (No. 139) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Immm (No. 71) | — | — | — | — | — |
| Pmm2 (No. 25) | — | — | — | — | — |
Applications
Where Co2Hf1Sb1 is used.
Frequently Asked Questions
Common questions about Co2Hf1Sb1, answered from cross-validated data.
What is Co2Hf1Sb1?
Co2Hf1Sb1 is a semiconducting ternary compound belonging to the skutterudite-related material class, primarily studied for its potential thermoelectric properties.
What is Co2Hf1Sb1 used for?
What is the band gap of Co2Hf1Sb1?
Is Co2Hf1Sb1 a metal, semiconductor, or insulator?
Is Co2Hf1Sb1 thermodynamically stable?
What is the crystal structure of Co2Hf1Sb1?
What is the density of Co2Hf1Sb1?
How many polymorphs of Co2Hf1Sb1 are known?
What elements does Co2Hf1Sb1 contain?
Where does the data for Co2Hf1Sb1 come from?
How It Compares
Within the skutterudite thermoelectrics class.
Unlike more conventional and thermodynamically robust skutterudite members such as FeP2 or CoP2, Co2Hf1Sb1 occupies a more precarious position in the phase space. While many of its siblings are recognized for their structural stability and established roles in thermoelectric research, this compound stands out as a more elusive member that challenges standard synthesis pathways due to its relative thermodynamic instability.
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).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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