Co1Sb1Ti1
Co1Sb1Ti1 is a stable, semiconducting skutterudite material primarily investigated for its potential in thermoelectric energy conversion.
About Co1Sb1Ti1
Co1Sb1Ti1 is a semiconducting member of the skutterudite family, a class of materials widely recognized for their potential in thermoelectric energy conversion. Its position on the convex hull indicates that it is a thermodynamically stable phase, making it a robust candidate for further experimental investigation in solid-state physics.
As a skutterudite, this compound benefits from a complex crystal structure that can be tuned to manipulate phonon transport while maintaining favorable electronic properties. Its stability and semiconducting nature make it a compelling subject for researchers aiming to optimize materials for high-efficiency thermal energy harvesting.
Key Properties
Cross-validated computational properties for Co1Sb1Ti1, 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 Co1Sb1Ti1, 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. |
|---|---|---|---|---|---|
| F-43m (No. 216) | cubic | 1.04 | 0.0000 | -17.951 | 7.56 |
| F-43m (No. 216) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| I4mm (No. 107) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
Applications
Where Co1Sb1Ti1 is used.
Frequently Asked Questions
Common questions about Co1Sb1Ti1, answered from cross-validated data.
What is Co1Sb1Ti1?
Co1Sb1Ti1 is a stable, semiconducting skutterudite material primarily investigated for its potential in thermoelectric energy conversion.
What is Co1Sb1Ti1 used for?
What is the band gap of Co1Sb1Ti1?
Is Co1Sb1Ti1 a metal, semiconductor, or insulator?
Is Co1Sb1Ti1 thermodynamically stable?
What is the crystal structure of Co1Sb1Ti1?
What is the density of Co1Sb1Ti1?
How many polymorphs of Co1Sb1Ti1 are known?
What elements does Co1Sb1Ti1 contain?
Where does the data for Co1Sb1Ti1 come from?
How It Compares
Within the skutterudite thermoelectrics class.
Within the broader class of pnictide-based compounds, Co1Sb1Ti1 occupies a distinct niche compared to binary phases like FeP2 or NiP2. While many of these siblings are studied for their catalytic or magnetic properties, the skutterudite framework of Co1Sb1Ti1 is specifically optimized for thermoelectric performance, distinguishing it from the simpler phosphide architectures found in the rest of the group.
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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