Fe1Nb1Sb1
Fe1Nb1Sb1 is a thermodynamically stable semiconducting skutterudite material used in thermoelectric research.
About Fe1Nb1Sb1
Fe1Nb1Sb1 is a semiconducting member of the skutterudite family, a class of materials widely investigated for their potential in thermoelectric power generation. Its position on the convex hull indicates high thermodynamic stability, making it a robust candidate for research into efficient heat-to-electricity conversion technologies.
As a ternary compound, this material benefits from the structural flexibility inherent to the skutterudite framework. Its electronic character allows for precise tuning of charge carrier transport, which is essential for optimizing performance in demanding energy harvesting applications.
Key Properties
Cross-validated computational properties for Fe1Nb1Sb1, 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 Fe1Nb1Sb1, 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 | 0.51 | 0.0000 | -7.969 | 8.57 |
| F-43m (No. 216) | — | — | — | — | — |
| I4mm (No. 107) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| I4mm (No. 107) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| P3m1 (No. 156) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
Applications
Where Fe1Nb1Sb1 is used.
Frequently Asked Questions
Common questions about Fe1Nb1Sb1, answered from cross-validated data.
What is Fe1Nb1Sb1?
Fe1Nb1Sb1 is a thermodynamically stable semiconducting skutterudite material used in thermoelectric research.
What is Fe1Nb1Sb1 used for?
What is the band gap of Fe1Nb1Sb1?
Is Fe1Nb1Sb1 a metal, semiconductor, or insulator?
Is Fe1Nb1Sb1 thermodynamically stable?
What is the crystal structure of Fe1Nb1Sb1?
What is the density of Fe1Nb1Sb1?
How many polymorphs of Fe1Nb1Sb1 are known?
What elements does Fe1Nb1Sb1 contain?
Where does the data for Fe1Nb1Sb1 come from?
How It Compares
Within the skutterudite thermoelectrics class.
Within the broader context of skutterudite-related phosphides and antimonides like FeP or CoP2, Fe1Nb1Sb1 stands out due to its specific ternary composition and stable structural phase. While many binary counterparts such as NiP2 or FeP2 are frequently studied for their catalytic or magnetic properties, this compound is specifically optimized for electronic applications where the interplay between iron, niobium, and antimony provides a unique band structure compared to simpler binary systems.
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).
Analyze Fe1Nb1Sb1 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →