Al2Ca4F18Pb2
Al2Ca4F18Pb2 is a thermodynamically stable, insulating fluoride compound composed of aluminum, calcium, lead, and fluorine.
About Al2Ca4F18Pb2
Al2Ca4F18Pb2 is a complex inorganic compound characterized by its insulating electronic nature and wide band gap. Its presence on the thermodynamic convex hull indicates that it is a stable material under standard conditions, making it a subject of interest for structural studies in solid-state chemistry. The combination of aluminum, calcium, fluorine, and lead suggests a unique crystalline framework that warrants further investigation into its dielectric properties. As a stable phase, it serves as a foundational example for understanding multi-element fluoride systems in complex lattice environments.
Key Properties
Cross-validated computational properties for Al2Ca4F18Pb2, 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 Al2Ca4F18Pb2, 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 | 5.78 | 0.0000 | -5.974 | 4.48 |
| No. 0 | unknown | — | — | — | 1.16 |
| No. 0 | unknown | — | — | — | 2.32 |
| P-1 (No. 2) | — | — | — | — | — |
Frequently Asked Questions
Common questions about Al2Ca4F18Pb2, answered from cross-validated data.
What is Al2Ca4F18Pb2?
Al2Ca4F18Pb2 is a thermodynamically stable, insulating fluoride compound composed of aluminum, calcium, lead, and fluorine.
What is the band gap of Al2Ca4F18Pb2?
Is Al2Ca4F18Pb2 a metal, semiconductor, or insulator?
Is Al2Ca4F18Pb2 thermodynamically stable?
What is the crystal structure of Al2Ca4F18Pb2?
What is the density of Al2Ca4F18Pb2?
How many polymorphs of Al2Ca4F18Pb2 are known?
What elements does Al2Ca4F18Pb2 contain?
Where does the data for Al2Ca4F18Pb2 come from?
How It Compares
As a unique multi-component fluoride, Al2Ca4F18Pb2 represents a specialized structural motif within its chemical class. Unlike simpler binary or ternary fluorides, this compound demonstrates the stability achievable through complex ionic arrangements, positioning it as a distinct entry in the database of stable inorganic materials.
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).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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