FeSbV
FeSbV is a stable, semiconducting skutterudite material being researched for its potential use in thermoelectric power generation.
About FeSbV
FeSbV is a semiconducting member of the skutterudite family, a class of materials widely recognized for their potential in advanced 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.
Researchers value this compound for its unique electronic character, which is essential for optimizing heat-to-electricity conversion efficiency. With multiple reported structures across various databases, it represents a well-documented entry in the search for high-performance thermoelectric materials.
Key Properties
Cross-validated computational properties for FeSbV, 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 FeSbV, 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 | 0.35 | 0.0000 | -7.503 | 7.97 |
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.2933 | -7.210 | 8.60 |
| F-43m (No. 216) | cubic | 0.00 | 0.4441 | -7.059 | 6.77 |
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.4685 | -7.034 | 7.88 |
| F-43m (No. 216) | — | — | — | — | — |
| — | — | — | — | — | 6.81 |
| — | — | — | — | — | — |
Applications
Where FeSbV is used.
Frequently Asked Questions
Common questions about FeSbV, answered from cross-validated data.
What is FeSbV?
FeSbV is a stable, semiconducting skutterudite material being researched for its potential use in thermoelectric power generation.
What is FeSbV used for?
What is the band gap of FeSbV?
Is FeSbV a metal, semiconductor, or insulator?
Is FeSbV thermodynamically stable?
What is the crystal structure of FeSbV?
What is the density of FeSbV?
How many polymorphs of FeSbV are known?
What elements does FeSbV contain?
Where does the data for FeSbV come from?
How It Compares
Within the skutterudite thermoelectrics class.
Within the diverse group of skutterudite-related phosphides and antimonides, FeSbV stands out as a distinct ternary phase. Unlike binary compounds such as FeP or NiP2, which are often studied for their structural simplicity, FeSbV offers a more complex chemical environment that can be tuned to influence its electronic and thermal transport properties.
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).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- alexandria — Data from alexandria.
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