GePb3O5
This inorganic compound is a complex oxide containing germanium and lead. It is primarily studied in materials science research for its structural properties and potential utility in specialized electronic or optical applications.
GeOPb
Overview
Key Properties
Cross-validated computational properties for GePb3O5, aggregated across 4 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.
1.63–2.27 eV
Range across DFT structures
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.
0.007 eV/atom
Best (lowest) across sources
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.
Near hull (likely stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
10
4 databases, 4 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for GePb3O5, 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. |
|---|---|---|---|---|---|
| P21 (No. 4) | monoclinic | 2.27 | 0.0067 | -6.225 | 8.35 |
| Cmm2 (No. 35) | orthorhombic | 1.63 | 0.0970 | -6.135 | 8.02 |
| No. 0 | unknown | — | — | — | 4.28 |
| P2 (No. 3) | — | — | — | — | — |
| P21 (No. 4) | Monoclinic | — | — | — | 8.45 |
| Cmm2 (No. 35) | Orthorhombic | — | — | — | 8.02 |
| P21 (No. 4) | Monoclinic | — | — | — | 7.99 |
| P21 (No. 4) | Monoclinic | — | — | — | 8.21 |
| Cmm2 (No. 35) | Orthorhombic | — | — | — | 8.47 |
| Cmm2 (No. 35) | Orthorhombic | — | — | — | 8.25 |
Uses
Applications
Where GePb3O5 is used.
Materials science researchSolid-state chemistry studiesCrystal structure analysis
Reference
Frequently Asked Questions
Common questions about GePb3O5, answered from cross-validated data.
What is GePb3O5?
This inorganic compound is a complex oxide containing germanium and lead. It is primarily studied in materials science research for its structural properties and potential utility in specialized electronic or optical applications.
More questions
What is GePb3O5 used for?
GePb3O5 is used in materials science research, solid-state chemistry studies, and crystal structure analysis.
What is the band gap of GePb3O5?
GePb3O5 has a DFT-computed band gap of 1.63–2.27 eV across 10 reported structures.
Is GePb3O5 a metal, semiconductor, or insulator?
With a band gap up to 2.27 eV it is a semiconductor.
Is GePb3O5 thermodynamically stable?
GePb3O5 has a lowest energy above hull of 0.007 eV/atom (near hull (likely stable)).
What is the crystal structure of GePb3O5?
The lowest-energy reported polymorph of GePb3O5 is monoclinic symmetry, space group P21 (No. 4).
What is the density of GePb3O5?
The computed density of the ground-state structure of GePb3O5 is 8.35 g/cm³.
How many polymorphs of GePb3O5 are known?
10 structures of GePb3O5 are reported across 4 databases, spanning 4 distinct space groups.
What elements does GePb3O5 contain?
GePb3O5 contains Ge, O, and Pb (3 elements).
Where does the data for GePb3O5 come from?
GePb3O5 data is cross-referenced from materials_project, cod, jarvis, mpaloe.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
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