ZnGaNO
ZnGaNO is a metastable semiconducting oxynitride compound used in materials science research for its unique electronic properties.
About ZnGaNO
ZnGaNO is a complex oxynitride semiconductor that exists in a metastable state. Its unique composition of zinc, gallium, nitrogen, and oxygen allows for electronic properties that are distinct from simple binary oxides or nitrides, making it a subject of interest for researchers exploring tunable band structures.
Due to its metastable nature, the synthesis and structural characterization of ZnGaNO are critical for understanding its potential in high-performance electronics. With multiple reported structures, it serves as a valuable case study in the design of multi-anion semiconductor materials.
Key Properties
Cross-validated computational properties for ZnGaNO, 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 ZnGaNO. 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 ZnGaNO, 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. |
|---|---|---|---|---|---|
| — | — | 1.45 | 0.0007 | -1.114 | — |
| — | — | 1.42 | 0.0279 | -1.086 | — |
| Pmc21 (No. 26) | orthorhombic | 0.36 | 0.0500 | -1.031 | — |
| — | — | 0.53 | 0.0598 | -1.055 | — |
| — | — | 0.00 | 0.0743 | -1.040 | — |
| — | — | 0.00 | 0.0768 | -1.037 | — |
| — | — | 0.43 | 0.1418 | -0.972 | — |
| Pmc21 (No. 26) | orthorhombic | 0.31 | 0.1483 | -5.469 | 5.62 |
| P1 (No. 1) | triclinic | 0.00 | 0.1621 | -5.455 | 5.61 |
| P3m1 (No. 156) | trigonal | 0.00 | 0.1647 | -5.452 | 5.61 |
| — | — | 0.00 | 0.3436 | -0.771 | — |
| — | — | 0.00 | 0.3436 | -0.771 | — |
Applications
Where ZnGaNO is used.
Frequently Asked Questions
Common questions about ZnGaNO, answered from cross-validated data.
What is ZnGaNO?
ZnGaNO is a metastable semiconducting oxynitride compound used in materials science research for its unique electronic properties.
What is ZnGaNO used for?
What is the band gap of ZnGaNO?
Is ZnGaNO a metal, semiconductor, or insulator?
Is ZnGaNO thermodynamically stable?
What is the crystal structure of ZnGaNO?
How many polymorphs of ZnGaNO are known?
What elements does ZnGaNO contain?
Where does the data for ZnGaNO come from?
How It Compares
As a specialized oxynitride, ZnGaNO occupies a unique niche in semiconductor research, where it is studied for its ability to bridge the gap between traditional oxide and nitride materials. Unlike more common binary semiconductors, its multi-element framework offers a flexible platform for tailoring electronic behavior in advanced material systems.
Data sources & attribution
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (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)
- 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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