Al1Fe2Nb1
Al1Fe2Nb1 is a thermodynamically stable semiconducting intermetallic material composed of aluminum, iron, and niobium.
About Al1Fe2Nb1
Al1Fe2Nb1 is a distinct intermetallic compound composed of aluminum, iron, and niobium. As a thermodynamically stable phase located on the convex hull, it represents a robust structural arrangement that resists decomposition under standard conditions. Its electronic character is defined as semiconducting, marking it as an intriguing candidate for specialized electronic or thermal applications where specific band structures are required. The material is characterized by a significant degree of structural diversity, as evidenced by numerous reported configurations in crystallographic databases. This richness in structural data suggests that Al1Fe2Nb1 can adopt various atomic arrangements, which is a critical factor for researchers aiming to tune its physical properties for high-performance engineering tasks.
Key Properties
Cross-validated computational properties for Al1Fe2Nb1, 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 Al1Fe2Nb1, 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 | -8.072 | 7.53 |
| P2/m (No. 10) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Cmmm (No. 65) | — | — | — | — | — |
| Imm2 (No. 44) | — | — | — | — | — |
| Cm (No. 8) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
| R3m (No. 160) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
Applications
Where Al1Fe2Nb1 is used.
Frequently Asked Questions
Common questions about Al1Fe2Nb1, answered from cross-validated data.
What is Al1Fe2Nb1?
Al1Fe2Nb1 is a thermodynamically stable semiconducting intermetallic material composed of aluminum, iron, and niobium.
What is Al1Fe2Nb1 used for?
What is the band gap of Al1Fe2Nb1?
Is Al1Fe2Nb1 a metal, semiconductor, or insulator?
Is Al1Fe2Nb1 thermodynamically stable?
What is the crystal structure of Al1Fe2Nb1?
What is the density of Al1Fe2Nb1?
How many polymorphs of Al1Fe2Nb1 are known?
What elements does Al1Fe2Nb1 contain?
Where does the data for Al1Fe2Nb1 come from?
How It Compares
As a unique ternary intermetallic, Al1Fe2Nb1 occupies a specialized niche in materials science. Unlike simpler binary alloys, this compound leverages the complex interplay between aluminum, iron, and niobium to achieve thermodynamic stability, serving as a foundational reference point for exploring multicomponent systems with semiconducting behavior.
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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