AlFe2Ta
AlFe2Ta is a stable, semiconducting ternary intermetallic compound composed of aluminum, iron, and tantalum.
About AlFe2Ta
AlFe2Ta is a thermodynamically stable intermetallic compound that occupies a position on the convex hull, indicating robust structural integrity under standard conditions. As a semiconducting material, it represents a specialized electronic configuration that distinguishes it from typical metallic alloys composed of aluminum, iron, and tantalum.
Its existence across multiple structural databases highlights its significance in materials science research. This compound is primarily utilized in fundamental studies aimed at understanding the interplay between transition metals and light elements in complex crystalline lattices.
Key Properties
Cross-validated computational properties for AlFe2Ta, aggregated across 3 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 AlFe2Ta, 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 | 0.32 | 0.0000 | -8.588 | 10.52 |
| P4/mmm (No. 123) | — | — | — | — | — |
| — | — | — | — | — | 9.57 |
| — | — | — | — | — | 9.67 |
| — | — | — | — | — | 9.25 |
Applications
Where AlFe2Ta is used.
Frequently Asked Questions
Common questions about AlFe2Ta, answered from cross-validated data.
What is AlFe2Ta?
AlFe2Ta is a stable, semiconducting ternary intermetallic compound composed of aluminum, iron, and tantalum.
What is AlFe2Ta used for?
What is the band gap of AlFe2Ta?
Is AlFe2Ta a metal, semiconductor, or insulator?
Is AlFe2Ta thermodynamically stable?
What is the crystal structure of AlFe2Ta?
What is the density of AlFe2Ta?
How many polymorphs of AlFe2Ta are known?
What elements does AlFe2Ta contain?
Where does the data for AlFe2Ta come from?
How It Compares
As a unique ternary intermetallic, AlFe2Ta serves as a distinct representative of its class, offering a stable semiconducting framework that contrasts with more common metallic phases found in similar aluminum-iron-tantalum systems.
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).
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