Cl4I4Pb4
Cl4I4Pb4 is a metastable, semiconducting lead-halide compound used primarily in foundational materials research.
About Cl4I4Pb4
Cl4I4Pb4 is a complex lead-based halide material characterized by its semiconducting electronic nature. As a metastable compound, it represents a unique structural configuration within the broader family of lead-halide materials, offering researchers a distinct platform for studying phase transitions and stability in inorganic solid-state chemistry.
Its existence across multiple structural databases highlights its significance as a subject of ongoing crystallographic investigation. By balancing lead, chlorine, and iodine, this compound serves as an intriguing model for understanding how halide substitution influences the electronic properties of heavy-metal frameworks.
Key Properties
Cross-validated computational properties for Cl4I4Pb4, 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 Cl4I4Pb4, 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. |
|---|---|---|---|---|---|
| Pnma (No. 62) | orthorhombic | 2.72 | 0.0682 | -3.556 | 6.44 |
| I4/mmm (No. 139) | — | — | — | — | — |
| Cmmm (No. 65) | — | — | — | — | — |
| — | — | — | — | — | 3.81 |
| — | — | — | — | — | 4.28 |
| — | — | — | — | — | 3.37 |
| — | — | — | — | — | 4.61 |
Applications
Where Cl4I4Pb4 is used.
Frequently Asked Questions
Common questions about Cl4I4Pb4, answered from cross-validated data.
What is Cl4I4Pb4?
Cl4I4Pb4 is a metastable, semiconducting lead-halide compound used primarily in foundational materials research.
What is Cl4I4Pb4 used for?
What is the band gap of Cl4I4Pb4?
Is Cl4I4Pb4 a metal, semiconductor, or insulator?
Is Cl4I4Pb4 thermodynamically stable?
What is the crystal structure of Cl4I4Pb4?
What is the density of Cl4I4Pb4?
How many polymorphs of Cl4I4Pb4 are known?
What elements does Cl4I4Pb4 contain?
Where does the data for Cl4I4Pb4 come from?
How It Compares
As a unique lead-halide assembly, Cl4I4Pb4 occupies a specialized niche in materials science. Unlike more common, highly stable lead-halide perovskites, this compound demonstrates a metastable character that invites further exploration into its synthesis pathways and potential for tunable electronic behavior.
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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