As4O26Pb16
As4O26Pb16 is a thermodynamically stable lead arsenate oxide that exhibits semiconducting electronic properties.
About As4O26Pb16
As4O26Pb16 is a complex lead arsenate oxide that occupies a stable position on the thermodynamic convex hull. Its structural integrity and electronic properties make it a significant subject for researchers investigating the interplay between heavy metal cations and oxyanion frameworks.
As a semiconducting material, this compound represents a specialized niche in inorganic chemistry. It is characterized by its structural complexity, as evidenced by multiple reported crystallographic configurations that highlight its versatile bonding environment.
Key Properties
Cross-validated computational properties for As4O26Pb16, 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 As4O26Pb16, 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. |
|---|---|---|---|---|---|
| C2/m (No. 12) | monoclinic | 2.07 | 0.0000 | -6.129 | 8.05 |
| C2/m (No. 12) | — | — | — | — | — |
| — | — | — | — | — | 5.91 |
| — | — | — | — | — | 7.38 |
Frequently Asked Questions
Common questions about As4O26Pb16, answered from cross-validated data.
What is As4O26Pb16?
As4O26Pb16 is a thermodynamically stable lead arsenate oxide that exhibits semiconducting electronic properties.
What is the band gap of As4O26Pb16?
Is As4O26Pb16 a metal, semiconductor, or insulator?
Is As4O26Pb16 thermodynamically stable?
What is the crystal structure of As4O26Pb16?
What is the density of As4O26Pb16?
How many polymorphs of As4O26Pb16 are known?
What elements does As4O26Pb16 contain?
Where does the data for As4O26Pb16 come from?
How It Compares
As a unique inorganic oxide, this compound serves as a critical reference point for understanding the stability of lead-based arsenates. Without direct structural analogs in this specific class, it stands as a distinct example of how lead and arsenic can organize into stable, semiconducting architectures.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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