Br28Rb4W12
Br28Rb4W12 is a stable, semiconducting inorganic compound consisting of tungsten, rubidium, and bromine atoms arranged in a complex cluster framework.
About Br28Rb4W12
Br28Rb4W12 is a complex inorganic compound composed of bromine, rubidium, and tungsten. As a thermodynamically stable phase located on the convex hull, it represents a well-defined structural arrangement that maintains integrity under standard conditions. Its electronic character as a semiconductor makes it an intriguing subject for research into specialized electronic and optical materials. The compound is characterized by its distinct cluster-based framework, which is a hallmark of this specific chemical system. Its stability and predictable electronic behavior suggest potential utility in advanced materials science, particularly where specific semiconducting properties are required for functional device architectures.
Key Properties
Cross-validated computational properties for Br28Rb4W12, 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 Br28Rb4W12, 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. |
|---|---|---|---|---|---|
| C2/c (No. 15) | monoclinic | 2.66 | 0.0000 | -5.736 | 5.46 |
| C2/c (No. 15) | — | — | — | — | — |
| — | — | — | — | — | 5.23 |
Applications
Where Br28Rb4W12 is used.
Frequently Asked Questions
Common questions about Br28Rb4W12, answered from cross-validated data.
What is Br28Rb4W12?
Br28Rb4W12 is a stable, semiconducting inorganic compound consisting of tungsten, rubidium, and bromine atoms arranged in a complex cluster framework.
What is Br28Rb4W12 used for?
What is the band gap of Br28Rb4W12?
Is Br28Rb4W12 a metal, semiconductor, or insulator?
Is Br28Rb4W12 thermodynamically stable?
What is the crystal structure of Br28Rb4W12?
What is the density of Br28Rb4W12?
How many polymorphs of Br28Rb4W12 are known?
What elements does Br28Rb4W12 contain?
Where does the data for Br28Rb4W12 come from?
How It Compares
As a distinct member of its chemical system, Br28Rb4W12 stands out for its thermodynamic stability and structural consistency across multiple reported configurations. While it represents a specialized niche in inorganic chemistry, it serves as a foundational example of how tungsten-based clusters can be integrated with alkali metals to achieve stable, semiconducting electronic states.
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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