AlGa3N4
AlGa3N4 is a semiconducting ternary nitride compound that exists near the thermodynamic stability limit and is of interest for semiconductor research.
About AlGa3N4
AlGa3N4 is a complex nitride semiconductor that sits near the thermodynamic stability hull, suggesting it is a viable candidate for experimental synthesis. Its electronic character positions it within the broader family of group-III nitrides, which are foundational to modern optoelectronics and power electronics.
As a material with multiple reported structures across various databases, it represents a significant point of interest for researchers exploring new phase spaces in nitride engineering. Its composition allows for tunable properties that could bridge the gap between simpler binary nitrides and more complex alloy systems.
Key Properties
Cross-validated computational properties for AlGa3N4, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of AlGa3N4. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for AlGa3N4, 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. |
|---|---|---|---|---|---|
| Pm (No. 6) | monoclinic | 2.24 | 0.0030 | -10.616 | 5.43 |
| P-43m (No. 215) | cubic | 2.42 | 0.0095 | -0.833 | — |
| P-43m (No. 215) | cubic | 2.18 | 0.0111 | -10.608 | 5.43 |
| Pm (No. 6) | monoclinic | — | — | — | 5.29 |
| Pm (No. 6) | monoclinic | — | — | — | 5.55 |
| Pm (No. 6) | monoclinic | — | — | — | 5.43 |
| P-43m (No. 215) | cubic | — | — | — | 5.54 |
| P-43m (No. 215) | cubic | — | — | — | 5.30 |
| P-43m (No. 215) | cubic | — | — | — | 5.43 |
Applications
Where AlGa3N4 is used.
Frequently Asked Questions
Common questions about AlGa3N4, answered from cross-validated data.
What is AlGa3N4?
AlGa3N4 is a semiconducting ternary nitride compound that exists near the thermodynamic stability limit and is of interest for semiconductor research.
What is AlGa3N4 used for?
What is the band gap of AlGa3N4?
Is AlGa3N4 a metal, semiconductor, or insulator?
Is AlGa3N4 thermodynamically stable?
What is the crystal structure of AlGa3N4?
How many polymorphs of AlGa3N4 are known?
What elements does AlGa3N4 contain?
Where does the data for AlGa3N4 come from?
How It Compares
Within the nitride semiconductors class.
Unlike the widely utilized binary nitrides such as GaN or AlN, AlGa3N4 represents a more intricate stoichiometric arrangement that challenges the standard binary paradigms of the nitride semiconductor class, offering a distinct structural complexity compared to simpler compounds like BN or InN.
Related Compounds
Other Nitride Semiconductors in the database.
Data sources & attribution
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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