Br18Cs6Tb4
Br18Cs6Tb4 is a stable, insulating halide compound composed of cesium, terbium, and bromine.
About Br18Cs6Tb4
Br18Cs6Tb4 is a complex halide material characterized by its insulating electronic nature. As a thermodynamically stable compound residing on the convex hull, it represents a robust structural configuration within its chemical system. Its stability suggests a well-defined atomic arrangement that is favorable under standard conditions.
This material is of interest for researchers studying rare-earth halide frameworks. Its wide-band-gap nature makes it a subject of investigation for potential optical or dielectric applications where insulating properties are required for performance.
Key Properties
Cross-validated computational properties for Br18Cs6Tb4, 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 Br18Cs6Tb4, 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. |
|---|---|---|---|---|---|
| R-3c (No. 167) | trigonal | 3.86 | 0.0000 | -4.159 | 4.47 |
| — | — | — | — | — | 4.23 |
| R-3c (No. 167) | — | — | — | — | — |
| R-3c (No. 167) | — | — | — | — | — |
Applications
Where Br18Cs6Tb4 is used.
Frequently Asked Questions
Common questions about Br18Cs6Tb4, answered from cross-validated data.
What is Br18Cs6Tb4?
Br18Cs6Tb4 is a stable, insulating halide compound composed of cesium, terbium, and bromine.
What is Br18Cs6Tb4 used for?
What is the band gap of Br18Cs6Tb4?
Is Br18Cs6Tb4 a metal, semiconductor, or insulator?
Is Br18Cs6Tb4 thermodynamically stable?
What is the crystal structure of Br18Cs6Tb4?
What is the density of Br18Cs6Tb4?
How many polymorphs of Br18Cs6Tb4 are known?
What elements does Br18Cs6Tb4 contain?
Where does the data for Br18Cs6Tb4 come from?
How It Compares
As a specialized halide containing cesium and terbium, Br18Cs6Tb4 occupies a unique position in the landscape of inorganic compounds. Without direct siblings in this specific class, it serves as a distinct reference point for understanding how heavy rare-earth elements integrate into complex halide lattices to maintain thermodynamic stability.
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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