V3Pb2O9
This compound is a complex oxide containing lead and vanadium. It is primarily studied for its structural properties and potential roles in advanced materials research.
OPbV
Overview
Key Properties
Cross-validated computational properties for V3Pb2O9, 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.
1.73–1.80 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.
0.025 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.
Metastable
1 DFT source
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
5
3 databases, 3 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for V3Pb2O9, 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. |
|---|---|---|---|---|---|
| P-1 (No. 2) | triclinic | 1.73 | 0.0254 | -7.858 | 5.94 |
| Cc (No. 9) | monoclinic | 1.80 | 0.0294 | -7.854 | 5.95 |
| No. 0 | unknown | — | — | — | 1.54 |
| No. 0 | unknown | — | — | — | 3.11 |
| Cc (No. 9) | — | — | — | — | — |
Uses
Applications
Where V3Pb2O9 is used.
Materials science researchSolid-state chemistry studies
Reference
Frequently Asked Questions
Common questions about V3Pb2O9, answered from cross-validated data.
What is V3Pb2O9?
This compound is a complex oxide containing lead and vanadium. It is primarily studied for its structural properties and potential roles in advanced materials research.
More questions
What is V3Pb2O9 used for?
V3Pb2O9 is used in materials science research and solid-state chemistry studies.
What is the band gap of V3Pb2O9?
V3Pb2O9 has a DFT-computed band gap of 1.73–1.80 eV across 5 reported structures.
Is V3Pb2O9 a metal, semiconductor, or insulator?
With a band gap up to 1.80 eV it is a semiconductor.
Is V3Pb2O9 thermodynamically stable?
V3Pb2O9 has a lowest energy above hull of 0.025 eV/atom (metastable).
What is the crystal structure of V3Pb2O9?
The lowest-energy reported polymorph of V3Pb2O9 is triclinic symmetry, space group P-1 (No. 2).
What is the density of V3Pb2O9?
The computed density of the ground-state structure of V3Pb2O9 is 5.94 g/cm³.
How many polymorphs of V3Pb2O9 are known?
5 structures of V3Pb2O9 are reported across 3 databases, spanning 3 distinct space groups.
What elements does V3Pb2O9 contain?
V3Pb2O9 contains O, Pb, and V (3 elements).
Where does the data for V3Pb2O9 come from?
V3Pb2O9 data is cross-referenced from materials_project, cod, jarvis.
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).
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