Be12Cd8F48Rb8
Be12Cd8F48Rb8 is a stable, wide-band-gap insulating compound composed of beryllium, cadmium, fluorine, and rubidium.
About Be12Cd8F48Rb8
Be12Cd8F48Rb8 is a complex inorganic compound characterized by its insulating electronic nature and high thermodynamic stability. As a material residing on the convex hull, it represents a robust phase within its chemical system, offering significant structural integrity for specialized research applications. Its unique composition of beryllium, cadmium, fluorine, and rubidium suggests a highly ordered lattice arrangement that is of particular interest to solid-state chemists investigating stable fluoride-based frameworks. The material is primarily studied for its fundamental electronic properties, where its wide-band-gap nature makes it a candidate for applications requiring high-performance dielectric or insulating behavior. By maintaining structural stability across multiple reported configurations, it serves as a key reference point for understanding the interplay between these specific metallic and non-metallic elements.
Key Properties
Cross-validated computational properties for Be12Cd8F48Rb8, 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 Be12Cd8F48Rb8, 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. |
|---|---|---|---|---|---|
| P213 (No. 198) | cubic | 5.33 | 0.0000 | -5.140 | 3.85 |
| P213 (No. 198) | — | — | — | — | — |
| — | — | — | — | — | 3.63 |
| — | — | — | — | — | 3.63 |
Applications
Where Be12Cd8F48Rb8 is used.
Frequently Asked Questions
Common questions about Be12Cd8F48Rb8, answered from cross-validated data.
What is Be12Cd8F48Rb8?
Be12Cd8F48Rb8 is a stable, wide-band-gap insulating compound composed of beryllium, cadmium, fluorine, and rubidium.
What is Be12Cd8F48Rb8 used for?
What is the band gap of Be12Cd8F48Rb8?
Is Be12Cd8F48Rb8 a metal, semiconductor, or insulator?
Is Be12Cd8F48Rb8 thermodynamically stable?
What is the crystal structure of Be12Cd8F48Rb8?
What is the density of Be12Cd8F48Rb8?
How many polymorphs of Be12Cd8F48Rb8 are known?
What elements does Be12Cd8F48Rb8 contain?
Where does the data for Be12Cd8F48Rb8 come from?
How It Compares
As a thermodynamically stable phase within its chemical space, Be12Cd8F48Rb8 stands out for its structural consistency and insulating characteristics. While it represents a unique combination of elements, it serves as a foundational example of how complex fluoride systems can achieve high stability, providing a benchmark for future exploration of similar multi-component inorganic insulators.
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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