Fe2Sn1Ti1
Fe2Sn1Ti1 is a stable, semimetallic half-Heusler compound used in materials science research for its unique electronic properties.
About Fe2Sn1Ti1
Fe2Sn1Ti1 belongs to the half-Heusler class of materials, which are widely investigated for their unique electronic and thermal transport properties. This specific composition is notable for its thermodynamic stability, as it sits on the convex hull, indicating a robust structural configuration that makes it a reliable subject for experimental and computational research.
As a near-zero-gap semimetallic material, Fe2Sn1Ti1 offers intriguing possibilities for electronic and energy-harvesting applications. Its structural integrity within the half-Heusler family positions it as an important candidate for understanding the relationship between composition and thermoelectric performance in complex ternary systems.
Key Properties
Cross-validated computational properties for Fe2Sn1Ti1, 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 Fe2Sn1Ti1, 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 | 0.05 | 0.0000 | -7.481 | 8.59 |
| Cmmm (No. 65) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Pmm2 (No. 25) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| R3m (No. 160) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
Applications
Where Fe2Sn1Ti1 is used.
Frequently Asked Questions
Common questions about Fe2Sn1Ti1, answered from cross-validated data.
What is Fe2Sn1Ti1?
Fe2Sn1Ti1 is a stable, semimetallic half-Heusler compound used in materials science research for its unique electronic properties.
What is Fe2Sn1Ti1 used for?
What is the band gap of Fe2Sn1Ti1?
Is Fe2Sn1Ti1 a metal, semiconductor, or insulator?
Is Fe2Sn1Ti1 thermodynamically stable?
What is the crystal structure of Fe2Sn1Ti1?
What is the density of Fe2Sn1Ti1?
How many polymorphs of Fe2Sn1Ti1 are known?
What elements does Fe2Sn1Ti1 contain?
Where does the data for Fe2Sn1Ti1 come from?
How It Compares
Within the half-heusler thermoelectrics class.
Within the diverse family of half-Heusler thermoelectrics, Fe2Sn1Ti1 stands out due to its distinct electronic character compared to more traditional semiconducting members like ZrNiSn or HfNiSn. While many siblings in this class are optimized for high-performance power generation through band-gap engineering, the semimetallic nature of this compound provides a different baseline for investigating charge carrier dynamics and thermal conductivity in metallic-like Heusler phases.
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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