GePbO3
GePbO3 is a thermodynamically stable semiconducting oxide composed of germanium, lead, and oxygen.
About GePbO3
GePbO3 is a complex oxide featuring germanium and lead, characterized by its semiconducting electronic nature. As a material that resides on the convex hull, it exhibits significant thermodynamic stability, making it a robust candidate for structural and functional investigations. Its unique composition allows for interesting interplay between the heavy metal lead and the metalloid germanium within an oxygen lattice. This stability is a critical factor for researchers evaluating its long-term performance in solid-state applications. The compound has been identified across multiple structural databases, reflecting a high level of research interest in its various crystalline arrangements. By understanding its electronic behavior, scientists can better predict how this oxide might function in environments requiring stable, semiconducting components.
Key Properties
Cross-validated computational properties for GePbO3, 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 GePbO3. 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 GePbO3, 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. |
|---|---|---|---|---|---|
| — | — | 2.71 | 0.0000 | -1.761 | — |
| R-3 (No. 148) | trigonal | 2.70 | 0.0000 | -6.565 | 6.36 |
| R-3 (No. 148) | trigonal | 3.41 | 0.0098 | -6.555 | 7.62 |
| P2/c (No. 13) | monoclinic | 2.67 | 0.0131 | -6.552 | 6.78 |
| — | — | 2.61 | 0.0273 | -1.733 | — |
| P4mm (No. 99) | tetragonal | 0.00 | 0.0371 | -1.527 | — |
| — | — | 2.93 | 0.0556 | -1.705 | — |
| Pm-3m (No. 221) | cubic | 0.00 | 0.0930 | -1.472 | — |
| — | — | 0.00 | 0.1520 | -1.609 | — |
| — | — | 0.00 | 0.2099 | -1.551 | — |
| — | — | 0.00 | 0.2101 | -1.551 | — |
| — | — | 0.00 | 0.2108 | -1.550 | — |
Synthesis Routes
Literature-extracted synthesis procedures targeting GePbO3.
Applications
Where GePbO3 is used.
Frequently Asked Questions
Common questions about GePbO3, answered from cross-validated data.
What is GePbO3?
GePbO3 is a thermodynamically stable semiconducting oxide composed of germanium, lead, and oxygen.
What is GePbO3 used for?
What is the band gap of GePbO3?
Is GePbO3 a metal, semiconductor, or insulator?
Is GePbO3 thermodynamically stable?
What is the crystal structure of GePbO3?
What is the density of GePbO3?
How many polymorphs of GePbO3 are known?
How is GePbO3 synthesized?
What elements does GePbO3 contain?
Where does the data for GePbO3 come from?
How It Compares
As a distinct oxide within its chemical family, GePbO3 stands out for its thermodynamic stability and semiconducting properties. While many complex oxides face challenges regarding structural integrity, this compound maintains a favorable position on the convex hull, positioning it as a reliable subject for fundamental materials research.
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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