Ga3NO3

Ga3NO3 is a metastable semiconducting oxynitride material studied for its potential roles in transparent electronic and optoelectronic technologies.

Crystal structure of Ga3NO3 (hexagonal, P-6 (No. 174))
Ground-state structure · Materials Project
Overview

About Ga3NO3

Ga3NO3 is a semiconducting oxynitride that occupies a unique niche within the broader family of transparent conducting oxides. Its complex composition and metastable nature make it a subject of significant interest for researchers aiming to tune electronic properties for next-generation optoelectronic devices.

This material is primarily investigated for its potential to bridge the gap between traditional oxide semiconductors and nitride-based systems. By leveraging its distinct structural characteristics, scientists explore its utility in applications requiring high transparency combined with controlled charge carrier mobility.

At a glance

Key Properties

Cross-validated computational properties for Ga3NO3, aggregated across 3 databases.

Band Gap

0.89–1.72 eV
Range across DFT structures

Energy Above Hull

0.043 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

44
3 databases, 6 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for Ga3NO3, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
P-6 (No. 174)hexagonal1.000.0432-6.3744.81
Pm (No. 6)monoclinic1.240.0439-6.3744.82
Pm (No. 6)monoclinic1.080.0472-6.3704.87
R-3m (No. 166)trigonal1.680.0479-6.3706.06
P1 (No. 1)triclinic1.290.0519-6.3664.79
P1 (No. 1)triclinic1.160.0579-6.3604.79
C2/m (No. 12)monoclinic1.720.0592-6.3586.04
P1 (No. 1)triclinic1.190.0597-6.3584.78
P1 (No. 1)triclinic0.890.0601-6.3584.79
P63/m (No. 176)hexagonal0.000.0680-6.3504.78
Pm (No. 6)Monoclinic5.00
R-3m (No. 166)Trigonal6.24
Uses

Applications

Where Ga3NO3 is used.

Optoelectronic devicesTransparent electronicsSemiconductor research
Reference

Frequently Asked Questions

Common questions about Ga3NO3, answered from cross-validated data.

What is Ga3NO3?

Ga3NO3 is a metastable semiconducting oxynitride material studied for its potential roles in transparent electronic and optoelectronic technologies.

More questions
What is Ga3NO3 used for?
Ga3NO3 is used in optoelectronic devices, transparent electronics, and semiconductor research.
What is the band gap of Ga3NO3?
Ga3NO3 has a DFT-computed band gap of 0.89–1.72 eV across 44 reported structures.
Is Ga3NO3 a metal, semiconductor, or insulator?
With a band gap up to 1.72 eV it is a semiconductor.
Is Ga3NO3 thermodynamically stable?
Ga3NO3 has a lowest energy above hull of 0.043 eV/atom (metastable).
What is the crystal structure of Ga3NO3?
The lowest-energy reported polymorph of Ga3NO3 is hexagonal symmetry, space group P-6 (No. 174).
What is the density of Ga3NO3?
The computed density of the ground-state structure of Ga3NO3 is 4.81 g/cm³.
How many polymorphs of Ga3NO3 are known?
44 structures of Ga3NO3 are reported across 3 databases, spanning 6 distinct space groups.
What elements does Ga3NO3 contain?
Ga3NO3 contains Ga, N, and O (3 elements).
Where does the data for Ga3NO3 come from?
Ga3NO3 data is cross-referenced from materials_project, mpaloe.
Comparison

How It Compares

Within the transparent conducting oxides class.

Unlike the highly stable and widely utilized ZnO, which serves as a benchmark for transparent conductors, Ga3NO3 represents a more specialized, metastable phase. While materials like BaSnO3 are prized for their robust conductivity, Ga3NO3 offers a different structural framework that allows for distinct electronic behavior, positioning it as a specialized candidate for research compared to the more conventional spinel-structured oxides like ZnGa2O4.

Explore

Related Compounds

Other Transparent Conducting Oxides 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.

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