Sc2AlGa
Sc2AlGa is a semiconducting ternary intermetallic compound that is currently a subject of interest in materials research due to its structural diversity and potential metastability.
About Sc2AlGa
Sc2AlGa is a semiconducting intermetallic compound composed of scandium, aluminum, and gallium. Its electronic properties suggest potential utility in specialized electronic applications where specific band characteristics are required for device performance.
While the material is characterized by multiple reported structures across various databases, it is noted to exist above the thermodynamic hull. This indicates that it may be metastable under standard conditions, making it a subject of interest for synthesis studies and phase stability research.
Key Properties
Cross-validated computational properties for Sc2AlGa, 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 Sc2AlGa, 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. |
|---|---|---|---|---|---|
| Immm (No. 71) | orthorhombic | 0.17 | 2.7377 | -8.103 | 0.32 |
| Pm (No. 6) | Monoclinic | — | — | — | 2.96 |
| Pm (No. 6) | Monoclinic | — | — | — | 2.98 |
| Pm (No. 6) | Monoclinic | — | — | — | 3.01 |
| Immm (No. 71) | — | — | — | — | — |
Applications
Where Sc2AlGa is used.
Frequently Asked Questions
Common questions about Sc2AlGa, answered from cross-validated data.
What is Sc2AlGa?
Sc2AlGa is a semiconducting ternary intermetallic compound that is currently a subject of interest in materials research due to its structural diversity and potential metastability.
What is Sc2AlGa used for?
What is the band gap of Sc2AlGa?
Is Sc2AlGa a metal, semiconductor, or insulator?
Is Sc2AlGa thermodynamically stable?
What is the crystal structure of Sc2AlGa?
What is the density of Sc2AlGa?
How many polymorphs of Sc2AlGa are known?
What elements does Sc2AlGa contain?
Where does the data for Sc2AlGa come from?
How It Compares
As a unique ternary intermetallic, Sc2AlGa occupies a specialized niche within the broader landscape of scandium-based alloys. Without direct structural siblings in its immediate class, it serves as a distinct case study for understanding how the integration of aluminum and gallium into a scandium lattice influences the overall thermodynamic and electronic landscape of the material.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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