Ge3N2
Ge3N2 is a semiconducting germanium nitride compound that is currently a subject of fundamental materials research due to its structural complexity.
About Ge3N2
Ge3N2 is a semiconducting binary nitride composed of germanium and nitrogen. Its electronic properties make it a subject of interest for researchers exploring specialized semiconductor materials that deviate from traditional silicon-based architectures.
While this compound is characterized by a significant number of reported structures across various databases, it is noted for being thermodynamically unstable relative to the ground state. This metastability necessitates precise synthesis conditions to stabilize the material for potential experimental investigation.
Key Properties
Cross-validated computational properties for Ge3N2, 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 Ge3N2. 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 Ge3N2, 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. |
|---|---|---|---|---|---|
| Pm-3m (No. 221) | cubic | 0.38 | 0.1821 | -11.927 | 4.59 |
| Pm-3m (No. 221) | cubic | 0.30 | 0.2092 | 0.146 | — |
| Cm (No. 8) | monoclinic | — | — | — | 6.27 |
| P1 (No. 1) | triclinic | — | — | — | 5.17 |
| P1 (No. 1) | triclinic | — | — | — | 6.79 |
| P1 (No. 1) | triclinic | — | — | — | 5.90 |
| P1 (No. 1) | triclinic | — | — | — | 5.42 |
| P-1 (No. 2) | triclinic | — | — | — | 5.49 |
| Pm (No. 6) | monoclinic | — | — | — | 4.60 |
| Cm (No. 8) | monoclinic | — | — | — | 4.57 |
| Cm (No. 8) | monoclinic | — | — | — | 5.40 |
| Cm (No. 8) | monoclinic | — | — | — | 8.24 |
Applications
Where Ge3N2 is used.
Frequently Asked Questions
Common questions about Ge3N2, answered from cross-validated data.
What is Ge3N2?
Ge3N2 is a semiconducting germanium nitride compound that is currently a subject of fundamental materials research due to its structural complexity.
What is Ge3N2 used for?
What is the band gap of Ge3N2?
Is Ge3N2 a metal, semiconductor, or insulator?
Is Ge3N2 thermodynamically stable?
What is the crystal structure of Ge3N2?
What is the density of Ge3N2?
How many polymorphs of Ge3N2 are known?
What elements does Ge3N2 contain?
Where does the data for Ge3N2 come from?
How It Compares
As a unique binary nitride in the germanium-nitrogen system, this compound represents a distinct structural phase that exists outside the thermodynamic ground state. Unlike more common, stable nitrides, its position above the hull highlights the complex synthesis challenges and the diverse structural landscape inherent to germanium-based semiconductors.
Data sources & attribution
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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