Ga3NO3
This compound is a complex inorganic material composed of gallium, nitrogen, and oxygen. It is primarily studied for its potential properties in advanced semiconductor research and optoelectronic material development.
Overview
Key Properties
Cross-validated computational properties for Ga3NO3, 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.
0.89–1.72 eV
Range across DFT structures
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.
0.043 eV/atom
Best (lowest) across sources
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.
Metastable
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
44
3 databases, 6 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Ga3NO3, 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. |
|---|---|---|---|---|---|
| P-6 (No. 174) | hexagonal | 1.00 | 0.0432 | -6.374 | 4.81 |
| Pm (No. 6) | monoclinic | 1.24 | 0.0439 | -6.374 | 4.82 |
| Pm (No. 6) | monoclinic | 1.08 | 0.0472 | -6.370 | 4.87 |
| R-3m (No. 166) | trigonal | 1.68 | 0.0479 | -6.370 | 6.06 |
| P1 (No. 1) | triclinic | 1.29 | 0.0519 | -6.366 | 4.79 |
| P1 (No. 1) | triclinic | 1.16 | 0.0579 | -6.360 | 4.79 |
| C2/m (No. 12) | monoclinic | 1.72 | 0.0592 | -6.358 | 6.04 |
| P1 (No. 1) | triclinic | 1.19 | 0.0597 | -6.358 | 4.78 |
| P1 (No. 1) | triclinic | 0.89 | 0.0601 | -6.358 | 4.79 |
| P63/m (No. 176) | hexagonal | 0.00 | 0.0680 | -6.350 | 4.78 |
| Pm (No. 6) | Monoclinic | — | — | — | 5.00 |
| R-3m (No. 166) | Trigonal | — | — | — | 6.24 |
Uses
Applications
Where Ga3NO3 is used.
Semiconductor researchOptoelectronic device developmentMaterials science experimentation
Reference
Frequently Asked Questions
Common questions about Ga3NO3, answered from cross-validated data.
What is Ga3NO3?
This compound is a complex inorganic material composed of gallium, nitrogen, and oxygen. It is primarily studied for its potential properties in advanced semiconductor research and optoelectronic material development.
More questions
What is Ga3NO3 used for?
Ga3NO3 is used in semiconductor research, optoelectronic device development, and materials science experimentation.
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.
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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