Al3GaN4
Al3GaN4 is a wide-gap ternary nitride semiconductor that is theoretically stable and structurally distinct from common binary nitrides.
About Al3GaN4
Al3GaN4 is a complex nitride semiconductor characterized by its wide-band-gap electronic structure. As an insulating material with significant structural diversity, it represents a unique intersection of aluminum and gallium chemistry within the broader nitride family.
Its position near the thermodynamic hull suggests that it is a viable target for experimental synthesis. This stability makes it a subject of interest for researchers looking to expand the library of functional nitrides beyond simple binary compounds.
Key Properties
Cross-validated computational properties for Al3GaN4, 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 Al3GaN4. 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 Al3GaN4, 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 | 3.50 | 0.0000 | -1.384 | — |
| Pm (No. 6) | monoclinic | 3.41 | 0.0020 | -9.945 | 4.03 |
| P-43m (No. 215) | cubic | 3.35 | 0.0173 | -9.929 | 4.03 |
| P-43m (No. 215) | cubic | 3.64 | 0.0200 | -1.364 | — |
| Pm (No. 6) | monoclinic | — | — | — | 4.11 |
| P-43m (No. 215) | cubic | — | — | — | 3.94 |
| Pm (No. 6) | monoclinic | — | — | — | 3.94 |
| P-43m (No. 215) | cubic | — | — | — | 4.11 |
| P-43m (No. 215) | cubic | — | — | — | 4.03 |
| Pm (No. 6) | monoclinic | — | — | — | 4.03 |
Applications
Where Al3GaN4 is used.
Frequently Asked Questions
Common questions about Al3GaN4, answered from cross-validated data.
What is Al3GaN4?
Al3GaN4 is a wide-gap ternary nitride semiconductor that is theoretically stable and structurally distinct from common binary nitrides.
What is Al3GaN4 used for?
What is the band gap of Al3GaN4?
Is Al3GaN4 a metal, semiconductor, or insulator?
Is Al3GaN4 thermodynamically stable?
What is the crystal structure of Al3GaN4?
What is the density of Al3GaN4?
How many polymorphs of Al3GaN4 are known?
What elements does Al3GaN4 contain?
Where does the data for Al3GaN4 come from?
How It Compares
Within the nitride semiconductors class.
Unlike the ubiquitous binary semiconductors like GaN or AlN, Al3GaN4 occupies a more intricate compositional space. While GaN is a cornerstone of modern blue-light technology, Al3GaN4 offers a distinct structural motif that differentiates it from the simpler Ga36N36 clusters or the highly covalent BN, providing a potential pathway for tuning material properties through complex ternary alloying.
Related Compounds
Other Nitride Semiconductors in the database.
Data sources & attribution
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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