Br18Cs6Ho4
Br18Cs6Ho4 is a thermodynamically stable, wide-gap insulating compound composed of cesium, holmium, and bromine.
About Br18Cs6Ho4
Br18Cs6Ho4 is a complex bromide compound characterized by its insulating electronic nature and wide band gap. As a thermodynamically stable phase residing on the convex hull, it represents a robust structural arrangement of cesium, holmium, and bromine atoms. Its existence across multiple reported structures highlights its significance in the study of rare-earth halide chemistry. The material is primarily of interest in fundamental solid-state research where its unique electronic and structural properties can be explored for potential optoelectronic or specialized coordination applications. Its stability makes it a reliable subject for investigating the interplay between heavy lanthanides and alkali metal halides.
Key Properties
Cross-validated computational properties for Br18Cs6Ho4, 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 Br18Cs6Ho4, 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 | 3.97 | 0.0000 | -4.151 | 4.54 |
| — | — | — | — | — | 4.30 |
| R-3c (No. 167) | — | — | — | — | — |
| R-3c (No. 167) | — | — | — | — | — |
| R-3c (No. 167) | — | — | — | — | — |
| R-3c (No. 167) | — | — | — | — | — |
| R-3c (No. 167) | — | — | — | — | — |
| R-3c (No. 167) | — | — | — | — | — |
Applications
Where Br18Cs6Ho4 is used.
Frequently Asked Questions
Common questions about Br18Cs6Ho4, answered from cross-validated data.
What is Br18Cs6Ho4?
Br18Cs6Ho4 is a thermodynamically stable, wide-gap insulating compound composed of cesium, holmium, and bromine.
What is Br18Cs6Ho4 used for?
What is the band gap of Br18Cs6Ho4?
Is Br18Cs6Ho4 a metal, semiconductor, or insulator?
Is Br18Cs6Ho4 thermodynamically stable?
What is the crystal structure of Br18Cs6Ho4?
What is the density of Br18Cs6Ho4?
How many polymorphs of Br18Cs6Ho4 are known?
What elements does Br18Cs6Ho4 contain?
Where does the data for Br18Cs6Ho4 come from?
How It Compares
As a specialized bromide compound, Br18Cs6Ho4 occupies a distinct niche in solid-state chemistry. While it lacks direct structural siblings in this context, its thermodynamic stability distinguishes it as a preferred phase compared to more metastable or disordered halide configurations, positioning it as a foundational reference point for future studies in this chemical space.
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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