ScAlN2
ScAlN2 is an insulating, wide-band-gap nitride semiconductor that is currently the subject of theoretical investigation due to its complex structural landscape.
About ScAlN2
ScAlN2 is a complex nitride semiconductor characterized by a wide-band-gap electronic structure. As an insulating material, it represents a unique combination of scandium, aluminum, and nitrogen, positioning it as an intriguing subject for research into advanced semiconductor architectures.
Despite its potential, the compound is identified as being above the thermodynamic hull, suggesting it is inherently unstable under standard conditions. Its existence in multiple reported structures across databases highlights its role as a focal point for computational studies in material stability and phase exploration.
Key Properties
Cross-validated computational properties for ScAlN2, 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 ScAlN2, 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. |
|---|---|---|---|---|---|
| Pna21 (No. 33) | orthorhombic | 3.00 | 0.1613 | -8.365 | 3.36 |
| I41/amd (No. 141) | tetragonal | 0.00 | 0.2193 | -8.307 | 4.09 |
| Pna21 (No. 33) | — | — | — | — | — |
| I41/amd (No. 141) | — | — | — | — | — |
| P-1 (No. 2) | Triclinic | — | — | — | 3.56 |
| C2/m (No. 12) | Monoclinic | — | — | — | 3.01 |
| C2/m (No. 12) | Monoclinic | — | — | — | 3.35 |
Applications
Where ScAlN2 is used.
Frequently Asked Questions
Common questions about ScAlN2, answered from cross-validated data.
What is ScAlN2?
ScAlN2 is an insulating, wide-band-gap nitride semiconductor that is currently the subject of theoretical investigation due to its complex structural landscape.
What is ScAlN2 used for?
What is the band gap of ScAlN2?
Is ScAlN2 a metal, semiconductor, or insulator?
Is ScAlN2 thermodynamically stable?
What is the crystal structure of ScAlN2?
What is the density of ScAlN2?
How many polymorphs of ScAlN2 are known?
What elements does ScAlN2 contain?
Where does the data for ScAlN2 come from?
How It Compares
Within the nitride semiconductors class.
Within the broader family of nitride semiconductors, ScAlN2 occupies a distinct position compared to more stable, widely utilized members like GaN or AlN. While GaN and AlN are recognized for their robust stability and established roles in optoelectronics, ScAlN2 remains a more exotic, potentially metastable variant that challenges conventional synthesis pathways.
Related Compounds
Other Nitride Semiconductors in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
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