Y2GeO5
Y2GeO5 is a stable, wide-gap insulating oxide that serves as a versatile material for advanced electronic and optical research.
About Y2GeO5
Y2GeO5 is a complex oxide composed of yttrium, germanium, and oxygen. As a thermodynamically stable compound residing on the convex hull, it exhibits excellent structural integrity and chemical robustness, making it a reliable candidate for high-performance material science investigations. Its wide-gap insulating nature suggests potential utility in applications requiring dielectric properties or optical transparency. The material has been extensively documented across multiple databases, reflecting significant interest in its structural versatility and potential for specialized electronic functions.
Key Properties
Cross-validated computational properties for Y2GeO5, 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 Y2GeO5. 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 Y2GeO5, 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. |
|---|---|---|---|---|---|
| — | — | 4.22 | 0.0000 | -3.173 | — |
| Pnma (No. 62) | orthorhombic | 3.40 | 0.0000 | -8.636 | 5.25 |
| P21/c (No. 14) | monoclinic | 3.76 | 0.0023 | -8.634 | 5.10 |
| C2/c (No. 15) | monoclinic | 4.09 | 0.0034 | -8.633 | 4.85 |
| C2/c (No. 15) | monoclinic | 3.39 | 0.0985 | -3.051 | — |
| C2/c (No. 15) | monoclinic | 3.71 | 0.1249 | -8.511 | 5.31 |
| C2/c (No. 15) | monoclinic | — | — | — | 5.68 |
| C2/c (No. 15) | monoclinic | — | — | — | 4.99 |
| C2/c (No. 15) | monoclinic | — | — | — | 4.82 |
| Pnma (No. 62) | orthorhombic | — | — | — | 5.10 |
| C2/c (No. 15) | monoclinic | — | — | — | 5.49 |
| C2/c (No. 15) | monoclinic | — | — | — | 5.31 |
Applications
Where Y2GeO5 is used.
Frequently Asked Questions
Common questions about Y2GeO5, answered from cross-validated data.
What is Y2GeO5?
Y2GeO5 is a stable, wide-gap insulating oxide that serves as a versatile material for advanced electronic and optical research.
What is Y2GeO5 used for?
What is the band gap of Y2GeO5?
Is Y2GeO5 a metal, semiconductor, or insulator?
Is Y2GeO5 thermodynamically stable?
What is the crystal structure of Y2GeO5?
What is the density of Y2GeO5?
How many polymorphs of Y2GeO5 are known?
What elements does Y2GeO5 contain?
Where does the data for Y2GeO5 come from?
How It Compares
As a distinct oxide within its chemical family, Y2GeO5 serves as a foundational example of stable yttrium-germanate phases, providing a benchmark for structural studies in complex insulating oxides.
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)
- 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.
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
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