Al2Pb3F12
Al2Pb3F12 is a stable, wide-gap insulating fluoride compound composed of aluminum, lead, and fluorine.
About Al2Pb3F12
Al2Pb3F12 is a complex fluoride compound characterized by its insulating electronic nature and wide band gap. As a thermodynamically stable material residing on the convex hull, it represents a robust structural arrangement of aluminum, lead, and fluorine atoms.
This material is of interest to researchers studying inorganic fluoride systems where high stability and insulating behavior are required. Its existence as a well-defined phase provides a foundation for investigating the physical properties of multi-cation fluoride lattices.
Key Properties
Cross-validated computational properties for Al2Pb3F12, 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 Al2Pb3F12, 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. |
|---|---|---|---|---|---|
| P21/c (No. 14) | monoclinic | 5.27 | 0.0000 | -16.119 | 6.66 |
| P21/c (No. 14) | — | — | — | — | — |
| P21/c (No. 14) | monoclinic | — | — | — | 1.64 |
Frequently Asked Questions
Common questions about Al2Pb3F12, answered from cross-validated data.
What is Al2Pb3F12?
Al2Pb3F12 is a stable, wide-gap insulating fluoride compound composed of aluminum, lead, and fluorine.
What is the band gap of Al2Pb3F12?
Is Al2Pb3F12 a metal, semiconductor, or insulator?
Is Al2Pb3F12 thermodynamically stable?
What is the crystal structure of Al2Pb3F12?
What is the density of Al2Pb3F12?
How many polymorphs of Al2Pb3F12 are known?
What elements does Al2Pb3F12 contain?
Where does the data for Al2Pb3F12 come from?
How It Compares
As a distinct inorganic fluoride, Al2Pb3F12 occupies a unique position within the broader landscape of metal fluorides. Unlike many complex halides that may be prone to instability, this compound maintains a stable configuration, making it a reliable subject for fundamental studies in solid-state chemistry.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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