VPbO2
VPbO2 is a semimetallic ternary oxide characterized by multiple structural phases and a metastable thermodynamic state.
About VPbO2
VPbO2 is a complex ternary oxide composed of vanadium, lead, and oxygen. As a near-zero-gap material, it exhibits semimetallic electronic behavior that distinguishes it from typical insulating oxides found in similar chemical systems. Its structural landscape is notably diverse, with multiple distinct atomic arrangements identified in materials databases.
Because this compound exists above the thermodynamic hull, it is considered metastable or unstable under standard conditions. This thermodynamic profile suggests that its synthesis requires precise kinetic control, making it a subject of interest for researchers studying phase stability and the formation of unconventional oxide architectures.
Key Properties
Cross-validated computational properties for VPbO2, 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.
Reported Structures
Lowest-energy structures reported for VPbO2, 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. |
|---|---|---|---|---|---|
| I41/a (No. 88) | tetragonal | 0.05 | 0.5459 | -7.079 | 7.46 |
| No. 0 | unknown | — | — | — | 7.14 |
| No. 0 | unknown | — | — | — | 7.16 |
| No. 0 | unknown | — | — | — | 7.07 |
| No. 0 | unknown | — | — | — | 7.12 |
| P4mm (No. 99) | — | — | — | — | — |
Frequently Asked Questions
Common questions about VPbO2, answered from cross-validated data.
What is VPbO2?
VPbO2 is a semimetallic ternary oxide characterized by multiple structural phases and a metastable thermodynamic state.
What is the band gap of VPbO2?
Is VPbO2 a metal, semiconductor, or insulator?
Is VPbO2 thermodynamically stable?
What is the crystal structure of VPbO2?
What is the density of VPbO2?
How many polymorphs of VPbO2 are known?
What elements does VPbO2 contain?
Where does the data for VPbO2 come from?
How It Compares
As a unique ternary oxide, VPbO2 occupies a specialized niche in materials science where its semimetallic character contrasts sharply with the predominantly insulating nature of many common binary oxides. It serves as a representative example of the challenges involved in stabilizing complex vanadium-lead-oxygen phases.
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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