Ge2O3
Ge2O3 is a semiconducting germanium oxide known for its wide variety of structural arrangements despite its metastable nature.
About Ge2O3
Ge2O3 is a germanium oxide compound that exhibits semiconducting electronic properties. Its structural landscape is remarkably diverse, with numerous reported configurations across various databases, highlighting the complex coordination chemistry inherent to germanium-oxygen systems.
While this compound is often found above the thermodynamic hull, suggesting it may be metastable under standard conditions, its existence in multiple structural forms remains a subject of interest for researchers studying phase transitions and oxide synthesis. It serves as a valuable case study for understanding the stability limits of binary germanium oxides.
Key Properties
Cross-validated computational properties for Ge2O3, 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 Ge2O3. 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 Ge2O3, 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. |
|---|---|---|---|---|---|
| — | — | 2.80 | 0.0360 | -1.665 | — |
| — | — | 2.74 | 0.0759 | -1.626 | — |
| — | — | 0.24 | 0.2299 | -1.472 | — |
| — | — | 0.92 | 0.2699 | -1.432 | — |
| — | — | 1.32 | 0.3126 | -1.389 | — |
| Pm-3m (No. 221) | cubic | 0.78 | 0.3651 | -1.235 | — |
| — | — | 1.22 | 0.3770 | -1.325 | — |
| — | — | 1.33 | 0.3778 | -1.324 | — |
| — | — | 0.00 | 0.4184 | -1.283 | — |
| Pm-3m (No. 221) | cubic | 0.68 | 0.4541 | -6.305 | 6.16 |
| P1 (No. 1) | triclinic | — | — | — | 4.45 |
| P1 (No. 1) | triclinic | — | — | — | 7.10 |
Applications
Where Ge2O3 is used.
Frequently Asked Questions
Common questions about Ge2O3, answered from cross-validated data.
What is Ge2O3?
Ge2O3 is a semiconducting germanium oxide known for its wide variety of structural arrangements despite its metastable nature.
What is Ge2O3 used for?
What is the band gap of Ge2O3?
Is Ge2O3 a metal, semiconductor, or insulator?
Is Ge2O3 thermodynamically stable?
What is the crystal structure of Ge2O3?
How many polymorphs of Ge2O3 are known?
What elements does Ge2O3 contain?
Where does the data for Ge2O3 come from?
How It Compares
As a binary germanium oxide, Ge2O3 represents a unique phase within the broader family of germanium-based materials. Unlike more common, highly stable oxides, this compound occupies a distinct position in the phase space, offering insights into the structural flexibility of germanium when oxygen stoichiometry deviates from the standard dioxide form.
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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