AlInSc2
AlInSc2 is a semiconducting ternary intermetallic compound characterized by its metastable thermodynamic state.
About AlInSc2
AlInSc2 is a semiconducting intermetallic compound composed of aluminum, indium, and scandium. Its electronic character suggests potential utility in specialized semiconductor research, though its thermodynamic profile indicates it exists in a metastable state relative to its constituent elements.
Despite its status as a complex ternary phase, the compound has been documented across multiple structural databases. Understanding its configuration is essential for researchers investigating the synthesis of unconventional intermetallic semiconductors that reside above the ground-state hull.
Key Properties
Cross-validated computational properties for AlInSc2, 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 AlInSc2, 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 | 0.16 | 2.6483 | -10.892 | 0.33 |
| — | — | — | — | — | 4.24 |
| — | — | — | — | — | 4.35 |
| I4/mmm (No. 139) | — | — | — | — | — |
Applications
Where AlInSc2 is used.
Frequently Asked Questions
Common questions about AlInSc2, answered from cross-validated data.
What is AlInSc2?
AlInSc2 is a semiconducting ternary intermetallic compound characterized by its metastable thermodynamic state.
What is AlInSc2 used for?
What is the band gap of AlInSc2?
Is AlInSc2 a metal, semiconductor, or insulator?
Is AlInSc2 thermodynamically stable?
What is the crystal structure of AlInSc2?
What is the density of AlInSc2?
How many polymorphs of AlInSc2 are known?
What elements does AlInSc2 contain?
Where does the data for AlInSc2 come from?
How It Compares
As a unique ternary intermetallic phase, AlInSc2 occupies a niche position in materials science where its semiconducting behavior is balanced against its metastable nature, distinguishing it from more common, highly stable alloy systems.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
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