Fe2Hf1Sn1
Fe2Hf1Sn1 is a semimetallic half-Heusler compound that is considered a promising candidate for synthesis and study in thermoelectric research.
About Fe2Hf1Sn1
Fe2Hf1Sn1 is a member of the half-Heusler class, characterized by its near-zero-gap electronic structure. This semimetallic nature makes it a subject of interest for researchers investigating charge transport properties in complex ternary intermetallic systems. Its proximity to the thermodynamic hull suggests it is a viable candidate for experimental synthesis and structural characterization. As a member of this versatile material family, it contributes to the broader understanding of how atomic arrangement influences the electronic behavior of Heusler-type compounds. It is primarily studied for its potential roles in thermoelectric applications where specific electronic band features are required for performance optimization.
Key Properties
Cross-validated computational properties for Fe2Hf1Sn1, 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 Fe2Hf1Sn1, 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. |
|---|---|---|---|---|---|
| Fm-3m (No. 225) | cubic | 0.02 | 0.0100 | -7.976 | 11.65 |
| Immm (No. 71) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Pmm2 (No. 25) | — | — | — | — | — |
Applications
Where Fe2Hf1Sn1 is used.
Frequently Asked Questions
Common questions about Fe2Hf1Sn1, answered from cross-validated data.
What is Fe2Hf1Sn1?
Fe2Hf1Sn1 is a semimetallic half-Heusler compound that is considered a promising candidate for synthesis and study in thermoelectric research.
What is Fe2Hf1Sn1 used for?
What is the band gap of Fe2Hf1Sn1?
Is Fe2Hf1Sn1 a metal, semiconductor, or insulator?
Is Fe2Hf1Sn1 thermodynamically stable?
What is the crystal structure of Fe2Hf1Sn1?
What is the density of Fe2Hf1Sn1?
How many polymorphs of Fe2Hf1Sn1 are known?
What elements does Fe2Hf1Sn1 contain?
Where does the data for Fe2Hf1Sn1 come from?
How It Compares
Within the half-heusler thermoelectrics class.
Within the half-Heusler class, Fe2Hf1Sn1 occupies a distinct position compared to well-established thermoelectric materials like HfNiSn or ZrNiSn. While those siblings are frequently optimized for their semiconducting properties and favorable power factors, Fe2Hf1Sn1 is distinguished by its semimetallic character, which differentiates its charge carrier dynamics from the more traditional insulating or semiconducting members of the group.
Related Compounds
Other Half-Heusler 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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