GeBi2O5
GeBi2O5 is a semiconducting bismuth germanate oxide that is considered a promising candidate for synthesis due to its favorable thermodynamic stability.
About GeBi2O5
GeBi2O5 is a complex bismuth germanate oxide that exhibits semiconducting electronic properties. Its position near the thermodynamic hull suggests that it is a viable candidate for experimental synthesis and further characterization in materials science research. The compound is notable for its structural complexity, with multiple reported configurations across various databases, highlighting its potential for diverse atomic arrangements. This versatility makes it an intriguing subject for investigating structure-property relationships in oxide semiconductors. As a material with significant structural data available, it serves as a valuable entry point for researchers exploring the intersection of bismuth-based chemistry and germanium-oxide frameworks. Its potential applications are primarily centered on its semiconducting nature, which allows for exploration in electronic and optoelectronic device development.
Key Properties
Cross-validated computational properties for GeBi2O5, 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 GeBi2O5. 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 GeBi2O5, 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. |
|---|---|---|---|---|---|
| Cmc21 (No. 36) | orthorhombic | 2.38 | 0.0000 | -1.573 | — |
| Cmc21 (No. 36) | orthorhombic | 2.34 | 0.0000 | -1.573 | — |
| Cmc21 (No. 36) | orthorhombic | 2.34 | 0.0057 | -6.508 | 8.15 |
| — | — | 2.51 | 0.0089 | -1.688 | — |
| — | — | 2.64 | 0.0093 | -1.688 | — |
| Cmc21 (No. 36) | orthorhombic | 2.44 | 0.0110 | -1.562 | — |
| Pnma (No. 62) | orthorhombic | 2.38 | 0.0311 | -6.482 | 7.69 |
| — | — | 2.45 | 0.0404 | -1.656 | — |
| Cmc21 (No. 36) | orthorhombic | — | — | — | 8.32 |
| Cmc21 (No. 36) | orthorhombic | — | — | — | 7.77 |
| Pnma (No. 62) | orthorhombic | — | — | — | 7.69 |
| Pnma (No. 62) | orthorhombic | — | — | — | 7.91 |
Synthesis Routes
Literature-extracted synthesis procedures targeting GeBi2O5.
Applications
Where GeBi2O5 is used.
Frequently Asked Questions
Common questions about GeBi2O5, answered from cross-validated data.
What is GeBi2O5?
GeBi2O5 is a semiconducting bismuth germanate oxide that is considered a promising candidate for synthesis due to its favorable thermodynamic stability.
What is GeBi2O5 used for?
What is the band gap of GeBi2O5?
Is GeBi2O5 a metal, semiconductor, or insulator?
Is GeBi2O5 thermodynamically stable?
What is the crystal structure of GeBi2O5?
How many polymorphs of GeBi2O5 are known?
How is GeBi2O5 synthesized?
What elements does GeBi2O5 contain?
Where does the data for GeBi2O5 come from?
How It Compares
As a relatively unique bismuth germanate, GeBi2O5 occupies a distinct niche within oxide materials. While it lacks direct structural siblings in this specific dataset, its status as a near-hull stable semiconducting oxide positions it as a promising subject for comparative studies against more common bismuth-based photocatalysts or germanium-based dielectric materials.
Data sources & attribution
- 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)
- 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)
- 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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