AlF9H2OPb3
AlF9H2OPb3 is a wide-band-gap insulating inorganic compound composed of aluminum, fluorine, hydrogen, oxygen, and lead that is considered likely to be synthesizable.
About AlF9H2OPb3
AlF9H2OPb3 is a complex inorganic compound characterized by its wide-band-gap insulating electronic profile. Its composition, which integrates aluminum, lead, and fluorine with hydroxyl components, suggests a unique structural framework that maintains thermodynamic stability near the convex hull, indicating it is a viable candidate for experimental synthesis.
As an insulating material, this compound is of interest for fundamental materials research where specific dielectric or structural properties are required. Its existence within structural databases highlights its potential role in advanced chemical systems where complex metal-fluoride-oxide interactions are necessary for specialized technological applications.
Key Properties
Cross-validated computational properties for AlF9H2OPb3, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of AlF9H2OPb3. Tight agreement means computed properties can be trusted without re-running calculations.
Only 1 independent DFT source (materials_project) reports a hull energy for AlF9H2OPb3, so cross-source agreement can't be assessed yet.
Reported Structures
Lowest-energy structures reported for AlF9H2OPb3, 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 | 4.67 | 0.0087 | -5.450 | 6.41 |
| P-1 (No. 2) | triclinic | — | — | 0.000 | — |
| P-1 (No. 2) | triclinic | — | — | — | 6.69 |
Applications
Where AlF9H2OPb3 is used.
Frequently Asked Questions
Common questions about AlF9H2OPb3, answered from cross-validated data.
What is AlF9H2OPb3?
AlF9H2OPb3 is a wide-band-gap insulating inorganic compound composed of aluminum, fluorine, hydrogen, oxygen, and lead that is considered likely to be synthesizable.
What is AlF9H2OPb3 used for?
What is the band gap of AlF9H2OPb3?
Is AlF9H2OPb3 a metal, semiconductor, or insulator?
Is AlF9H2OPb3 thermodynamically stable?
What is the crystal structure of AlF9H2OPb3?
What is the density of AlF9H2OPb3?
How many polymorphs of AlF9H2OPb3 are known?
What elements does AlF9H2OPb3 contain?
Where does the data for AlF9H2OPb3 come from?
How It Compares
As a unique inorganic complex, AlF9H2OPb3 serves as a distinct entry in the study of lead-aluminum-fluoride systems. It occupies a specialized niche, providing a structural reference point for researchers exploring the stability and bonding characteristics of multi-element insulating compounds.
Data sources & attribution
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- nomad — Data from NOMAD (nomad-lab.eu). Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019). (CC-BY-4.0)
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
Analyze AlF9H2OPb3 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 85 source databases.
Explore the Platform →