Cl4Cs4F12Sb4
Cl4Cs4F12Sb4 is a thermodynamically stable, wide-band-gap insulating compound composed of cesium, chlorine, fluorine, and antimony.
About Cl4Cs4F12Sb4
Cl4Cs4F12Sb4 is a complex inorganic compound characterized by its insulating electronic nature and wide-band-gap behavior. As a thermodynamically stable phase residing on the convex hull, it represents a robust configuration within its chemical system, suggesting significant structural integrity under standard conditions. The presence of multiple reported structures across databases highlights its interest to researchers studying complex halide-antimony frameworks. Its stability and electronic properties make it a subject of study for specialized applications where insulating materials with specific structural motifs are required. By maintaining a stable configuration, it serves as a reliable candidate for exploring the intersection of antimony-based chemistry and halide-based lattice architectures.
Key Properties
Cross-validated computational properties for Cl4Cs4F12Sb4, 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 Cl4Cs4F12Sb4, 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. |
|---|---|---|---|---|---|
| I-42m (No. 121) | tetragonal | 3.66 | 0.0000 | -4.699 | 3.86 |
| I-42m (No. 121) | — | — | — | — | — |
| I-42m (No. 121) | — | — | — | — | — |
| — | — | — | — | — | 3.19 |
Applications
Where Cl4Cs4F12Sb4 is used.
Frequently Asked Questions
Common questions about Cl4Cs4F12Sb4, answered from cross-validated data.
What is Cl4Cs4F12Sb4?
Cl4Cs4F12Sb4 is a thermodynamically stable, wide-band-gap insulating compound composed of cesium, chlorine, fluorine, and antimony.
What is Cl4Cs4F12Sb4 used for?
What is the band gap of Cl4Cs4F12Sb4?
Is Cl4Cs4F12Sb4 a metal, semiconductor, or insulator?
Is Cl4Cs4F12Sb4 thermodynamically stable?
What is the crystal structure of Cl4Cs4F12Sb4?
What is the density of Cl4Cs4F12Sb4?
How many polymorphs of Cl4Cs4F12Sb4 are known?
What elements does Cl4Cs4F12Sb4 contain?
Where does the data for Cl4Cs4F12Sb4 come from?
How It Compares
As a unique inorganic compound, Cl4Cs4F12Sb4 functions as a distinct entity within the broader landscape of complex halide materials. Without direct structural siblings in its immediate class, it stands as a specialized example of how cesium, chlorine, fluorine, and antimony can integrate into a thermodynamically favored, wide-gap insulating framework.
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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