Cl16Cs4Ga4
Cl16Cs4Ga4 is a thermodynamically stable, wide-band-gap insulating compound composed of cesium, gallium, and chlorine.
About Cl16Cs4Ga4
Cl16Cs4Ga4 is a complex inorganic compound characterized by its wide-band-gap insulating electronic profile. Its position on the convex hull confirms its status as a thermodynamically stable phase, making it a robust candidate for fundamental materials research.
With multiple reported structures across major databases, this compound represents a well-documented system within its chemical family. Its stability and insulating nature suggest potential utility in specialized dielectric or optical applications where structural integrity is paramount.
Key Properties
Cross-validated computational properties for Cl16Cs4Ga4, 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 Cl16Cs4Ga4, 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 | 4.49 | 0.0000 | -3.827 | 2.88 |
| — | — | — | — | — | 2.66 |
| Pnma (No. 62) | — | — | — | — | — |
| — | — | — | — | — | 2.44 |
| Pnma (No. 62) | — | — | — | — | — |
Applications
Where Cl16Cs4Ga4 is used.
Frequently Asked Questions
Common questions about Cl16Cs4Ga4, answered from cross-validated data.
What is Cl16Cs4Ga4?
Cl16Cs4Ga4 is a thermodynamically stable, wide-band-gap insulating compound composed of cesium, gallium, and chlorine.
What is Cl16Cs4Ga4 used for?
What is the band gap of Cl16Cs4Ga4?
Is Cl16Cs4Ga4 a metal, semiconductor, or insulator?
Is Cl16Cs4Ga4 thermodynamically stable?
What is the crystal structure of Cl16Cs4Ga4?
What is the density of Cl16Cs4Ga4?
How many polymorphs of Cl16Cs4Ga4 are known?
What elements does Cl16Cs4Ga4 contain?
Where does the data for Cl16Cs4Ga4 come from?
How It Compares
As a thermodynamically stable insulator, Cl16Cs4Ga4 serves as a benchmark material for understanding the structural diversity of cesium-gallium-chloride systems. It stands as a reliable reference point for researchers investigating the complex phase space of halide-based materials.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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