AlGa3N4

AlGa3N4 is a semiconducting ternary nitride compound that exists near the thermodynamic stability limit and is of interest for semiconductor research.

Crystal structure of AlGa3N4 (monoclinic, Pm (No. 6))
Ground-state structure · Materials Project
Overview

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.

At a glance

Key Properties

Cross-validated computational properties for AlGa3N4, aggregated across 4 databases.

Band Gap

2.18–2.24 eV
Range across DFT structures

Energy Above Hull

0.003 eV/atom
Best (lowest) across sources

Stability

Near hull (likely stable)
3 DFT sources

Structures

11
4 databases, 2 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for AlGa3N4, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
Pm (No. 6)monoclinic2.240.0030-10.6165.43
P-43m (No. 215)cubic2.180.0111-10.6085.43
P-43m (No. 215)
Pm (No. 6)Monoclinic5.29
Pm (No. 6)Monoclinic5.55
Pm (No. 6)Monoclinic5.43
P-43m (No. 215)Cubic5.54
5.30
P-43m (No. 215)Cubic5.30
P-43m (No. 215)Cubic5.43
5.30
Uses

Applications

Where AlGa3N4 is used.

Semiconductor device researchOptoelectronic material developmentPower electronics exploration
Reference

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.

More questions
What is AlGa3N4 used for?
AlGa3N4 is used in semiconductor device research, optoelectronic material development, and power electronics exploration.
What is the band gap of AlGa3N4?
AlGa3N4 has a DFT-computed band gap of 2.18–2.24 eV across 11 reported structures.
Is AlGa3N4 a metal, semiconductor, or insulator?
With a band gap up to 2.24 eV it is a semiconductor.
Is AlGa3N4 thermodynamically stable?
AlGa3N4 has a lowest energy above hull of 0.003 eV/atom (near hull (likely stable)).
What is the crystal structure of AlGa3N4?
The lowest-energy reported polymorph of AlGa3N4 is monoclinic symmetry, space group Pm (No. 6).
What is the density of AlGa3N4?
The computed density of the ground-state structure of AlGa3N4 is 5.43 g/cm³.
How many polymorphs of AlGa3N4 are known?
11 structures of AlGa3N4 are reported across 4 databases, spanning 2 distinct space groups.
What elements does AlGa3N4 contain?
AlGa3N4 contains Al, Ga, and N (3 elements).
Where does the data for AlGa3N4 come from?
AlGa3N4 data is cross-referenced from materials_project, jarvis, mpaloe, omat24.
Comparison

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.

Explore

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.
  • omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).

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