ZnGeN2
ZnGeN2 is a thermodynamically stable semiconducting compound composed of zinc, germanium, and nitrogen.
About ZnGeN2
ZnGeN2 is a semiconducting nitride compound that occupies a stable position on the convex hull, indicating significant thermodynamic robustness. Its structural versatility is highlighted by multiple reported configurations, making it a subject of interest for researchers investigating complex ternary nitride systems. The material is primarily studied for its electronic properties, which are influenced by the specific arrangement of zinc, germanium, and nitrogen atoms. Its stability and semiconducting nature position it as a candidate for specialized optoelectronic and semiconductor device applications.
Key Properties
Cross-validated computational properties for ZnGeN2, 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 ZnGeN2. 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 ZnGeN2, 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. |
|---|---|---|---|---|---|
| — | — | 1.97 | 0.0000 | -0.296 | — |
| Pna21 (No. 33) | orthorhombic | 1.87 | 0.0000 | -0.282 | — |
| Pna21 (No. 33) | orthorhombic | 1.70 | 0.0000 | -10.620 | 6.05 |
| — | — | 1.84 | 0.0037 | -0.293 | — |
| P21/c (No. 14) | monoclinic | 1.52 | 0.0686 | -10.551 | 5.58 |
| P3m1 (No. 156) | trigonal | 0.00 | 0.1960 | -10.424 | 5.76 |
| Pna21 (No. 33) | orthorhombic | — | — | — | 6.04 |
| P-1 (No. 2) | triclinic | — | — | — | 6.56 |
| P-1 (No. 2) | triclinic | — | — | — | 6.85 |
| P-1 (No. 2) | triclinic | — | — | — | 6.47 |
Applications
Where ZnGeN2 is used.
Frequently Asked Questions
Common questions about ZnGeN2, answered from cross-validated data.
What is ZnGeN2?
ZnGeN2 is a thermodynamically stable semiconducting compound composed of zinc, germanium, and nitrogen.
What is ZnGeN2 used for?
What is the band gap of ZnGeN2?
Is ZnGeN2 a metal, semiconductor, or insulator?
Is ZnGeN2 thermodynamically stable?
What is the crystal structure of ZnGeN2?
How many polymorphs of ZnGeN2 are known?
What elements does ZnGeN2 contain?
Where does the data for ZnGeN2 come from?
How It Compares
As a ternary nitride, ZnGeN2 represents a distinct structural archetype within its chemical family, offering unique electronic characteristics that differentiate it from simpler binary nitrides. Its position on the convex hull ensures it remains a focal point for studies into stable, high-performance semiconductor materials.
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)
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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