Fe2Si1Ti1
Fe2Si1Ti1 is a stable, semiconducting Heusler alloy used in advanced materials research for its unique electronic properties.
About Fe2Si1Ti1
Fe2Si1Ti1 is a distinct member of the Heusler alloy family, characterized by its robust thermodynamic stability as it sits directly on the convex hull. Its electronic structure manifests as a semiconductor, making it a subject of significant interest for researchers exploring tunable electronic properties in complex intermetallic systems.
This material is primarily utilized in fundamental materials science research to understand the interplay between transition metals and metalloids in crystalline lattices. Its stable configuration and semiconducting nature provide a platform for investigating potential applications in thermoelectric devices and magnetic sensor technologies.
Key Properties
Cross-validated computational properties for Fe2Si1Ti1, 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 Fe2Si1Ti1, 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 | 0.40 | 0.0000 | -8.240 | 6.92 |
| Pmm2 (No. 25) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| R3m (No. 160) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| I-4m2 (No. 119) | — | — | — | — | — |
Applications
Where Fe2Si1Ti1 is used.
Frequently Asked Questions
Common questions about Fe2Si1Ti1, answered from cross-validated data.
What is Fe2Si1Ti1?
Fe2Si1Ti1 is a stable, semiconducting Heusler alloy used in advanced materials research for its unique electronic properties.
What is Fe2Si1Ti1 used for?
What is the band gap of Fe2Si1Ti1?
Is Fe2Si1Ti1 a metal, semiconductor, or insulator?
Is Fe2Si1Ti1 thermodynamically stable?
What is the crystal structure of Fe2Si1Ti1?
What is the density of Fe2Si1Ti1?
How many polymorphs of Fe2Si1Ti1 are known?
What elements does Fe2Si1Ti1 contain?
Where does the data for Fe2Si1Ti1 come from?
How It Compares
Within the heusler alloys class.
Within the diverse group of Heusler alloys, Fe2Si1Ti1 is notable for its specific stoichiometry compared to siblings like Fe2Sn1Ti1 or NiSnTi. While many members of this class are metallic, Fe2Si1Ti1 distinguishes itself through its semiconducting electronic character, positioning it as a specialized candidate for applications where insulating or semiconducting behavior is required over traditional metallic conductivity.
Related Compounds
Other Heusler Alloys 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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