O22Pb2V12
O22Pb2V12 is a metastable semiconducting oxide composed of lead, vanadium, and oxygen.
About O22Pb2V12
O22Pb2V12 is a complex lead vanadium oxide that exhibits semiconducting electronic behavior. As a metastable phase, it represents a specialized configuration within the broader family of lead-based transition metal oxides, offering unique structural arrangements for materials scientists to investigate. The compound is characterized by a notable degree of structural diversity, as evidenced by multiple reported crystallographic forms across various databases. Its specific electronic profile makes it a subject of interest for fundamental studies into how lead and vanadium coordination influences charge transport in oxide frameworks.
Key Properties
Cross-validated computational properties for O22Pb2V12, 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 O22Pb2V12, 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. |
|---|---|---|---|---|---|
| P63mc (No. 186) | hexagonal | 0.01 | 0.0350 | -8.645 | 5.52 |
| P1 (No. 1) | triclinic | 0.73 | 0.0360 | -8.644 | 5.61 |
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.0595 | -8.620 | 5.87 |
| — | — | — | — | — | 5.58 |
| Cmcm (No. 63) | — | — | — | — | — |
Applications
Where O22Pb2V12 is used.
Frequently Asked Questions
Common questions about O22Pb2V12, answered from cross-validated data.
What is O22Pb2V12?
O22Pb2V12 is a metastable semiconducting oxide composed of lead, vanadium, and oxygen.
What is O22Pb2V12 used for?
What is the band gap of O22Pb2V12?
Is O22Pb2V12 a metal, semiconductor, or insulator?
Is O22Pb2V12 thermodynamically stable?
What is the crystal structure of O22Pb2V12?
What is the density of O22Pb2V12?
How many polymorphs of O22Pb2V12 are known?
What elements does O22Pb2V12 contain?
Where does the data for O22Pb2V12 come from?
How It Compares
As a unique lead vanadium oxide, this compound occupies a distinct niche in materials research, serving as a primary example of metastable phase formation in complex ternary oxide systems.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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