YAlN2
YAlN2 is a ternary nitride semiconductor currently studied for its unique structural properties and potential role in advanced materials research.
About YAlN2
YAlN2 is a complex nitride semiconductor that represents an intriguing, albeit challenging, addition to the field of nitride materials. Its electronic character suggests potential for specialized semiconductor applications, though its thermodynamic profile indicates it is a metastable phase that requires precise synthesis conditions to stabilize.
Because it exists above the thermodynamic hull, YAlN2 is primarily of interest for fundamental materials research rather than immediate industrial deployment. Understanding its structural nuances helps researchers map the broader landscape of ternary nitrides and explore how rare-earth elements influence the electronic behavior of semiconductor lattices.
Key Properties
Cross-validated computational properties for YAlN2, 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 YAlN2, 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. |
|---|---|---|---|---|---|
| P21/c (No. 14) | monoclinic | 2.77 | 0.1956 | -12.970 | 4.43 |
| I-42d (No. 122) | tetragonal | 2.83 | 0.2459 | -12.920 | 4.58 |
| Pbca (No. 61) | orthorhombic | 2.05 | 0.2569 | -12.909 | 4.57 |
| P21/c (No. 14) | Monoclinic | — | — | — | 4.43 |
| P21/c (No. 14) | Monoclinic | — | — | — | 4.62 |
| P21/c (No. 14) | Monoclinic | — | — | — | 4.52 |
| I-42d (No. 122) | — | — | — | — | — |
Applications
Where YAlN2 is used.
Frequently Asked Questions
Common questions about YAlN2, answered from cross-validated data.
What is YAlN2?
YAlN2 is a ternary nitride semiconductor currently studied for its unique structural properties and potential role in advanced materials research.
What is YAlN2 used for?
What is the band gap of YAlN2?
Is YAlN2 a metal, semiconductor, or insulator?
Is YAlN2 thermodynamically stable?
What is the crystal structure of YAlN2?
What is the density of YAlN2?
How many polymorphs of YAlN2 are known?
What elements does YAlN2 contain?
Where does the data for YAlN2 come from?
How It Compares
Within the nitride semiconductors class.
Within the class of nitride semiconductors, YAlN2 occupies a more exotic position compared to well-established, technologically mature materials like GaN or AlN. While compounds such as BN and GaN are characterized by their robust thermodynamic stability and widespread use in optoelectronics, YAlN2 remains a subject of theoretical and exploratory interest due to its relative instability and complex structural diversity.
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).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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