Ge2N2O
Ge2N2O is a semiconducting oxynitride compound that is theoretically stable and serves as a promising subject for research in advanced semiconductor materials.
About Ge2N2O
Ge2N2O is a semiconducting oxynitride compound that sits at the intersection of nitride and oxide materials science. Its electronic character suggests potential utility in specialized optoelectronic or semiconductor devices where precise band structure engineering is required.
As a near-hull material, it is considered thermodynamically stable enough to be a target for experimental synthesis. With dozens of reported structures across major databases, it represents a significant subject for computational exploration and future material development.
Key Properties
Cross-validated computational properties for Ge2N2O, aggregated across 5 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 Ge2N2O. 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 Ge2N2O, 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. |
|---|---|---|---|---|---|
| — | — | — | 0.0000 | -0.700 | — |
| Cmc21 (No. 36) | orthorhombic | 2.70 | 0.0251 | -0.571 | — |
| Imm2 (No. 44) | orthorhombic | 2.54 | 0.0299 | -0.567 | — |
| Cmc21 (No. 36) | orthorhombic | 2.49 | 0.0455 | -0.551 | — |
| Cc (No. 9) | monoclinic | 2.53 | 0.0491 | -0.547 | — |
| Cc (No. 9) | monoclinic | 2.36 | 0.0796 | -0.517 | — |
| Cmc21 (No. 36) | orthorhombic | 2.62 | 0.1462 | -6.848 | 4.55 |
| Imm2 (No. 44) | orthorhombic | 2.49 | 0.1745 | -6.819 | 4.48 |
| Cc (No. 9) | monoclinic | 2.43 | 0.1810 | -6.813 | 4.60 |
| Cmc21 (No. 36) | orthorhombic | 2.34 | 0.1926 | -6.801 | 4.53 |
| Cc (No. 9) | monoclinic | 2.33 | 0.2154 | -6.778 | 4.70 |
| I41/amd (No. 141) | tetragonal | 2.37 | 0.2340 | -6.760 | 5.86 |
Applications
Where Ge2N2O is used.
Frequently Asked Questions
Common questions about Ge2N2O, answered from cross-validated data.
What is Ge2N2O?
Ge2N2O is a semiconducting oxynitride compound that is theoretically stable and serves as a promising subject for research in advanced semiconductor materials.
What is Ge2N2O used for?
What is the band gap of Ge2N2O?
Is Ge2N2O a metal, semiconductor, or insulator?
Is Ge2N2O thermodynamically stable?
What is the crystal structure of Ge2N2O?
How many polymorphs of Ge2N2O are known?
What elements does Ge2N2O contain?
Where does the data for Ge2N2O come from?
How It Compares
As a unique oxynitride, Ge2N2O occupies a specialized niche within the broader family of germanium-based semiconductors. Unlike more conventional binary oxides or nitrides, this ternary compound offers a distinct chemical environment that may allow for tunable electronic properties, positioning it as a promising candidate for research into novel semiconductor architectures.
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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