Be8Cs4F20
Be8Cs4F20 is a thermodynamically stable, insulating fluoride compound composed of beryllium, cesium, and fluorine.
About Be8Cs4F20
Be8Cs4F20 is a complex fluoride material characterized by its insulating electronic nature and high thermodynamic stability. As a member of the beryllium-cesium-fluorine system, it sits securely on the convex hull, indicating robust structural integrity under standard conditions. Its wide-band-gap profile suggests significant potential for applications requiring dielectric performance or optical transparency. The material is notable for its well-defined structural characteristics, supported by multiple entries across crystallographic databases. This stability makes it a subject of interest for researchers investigating complex halide frameworks and their fundamental physical properties.
Key Properties
Cross-validated computational properties for Be8Cs4F20, 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 Be8Cs4F20, 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. |
|---|---|---|---|---|---|
| P4132 (No. 213) | cubic | 7.18 | 0.0000 | -5.715 | 3.33 |
| P4132 (No. 213) | — | — | — | — | — |
| — | — | — | — | — | 2.57 |
Applications
Where Be8Cs4F20 is used.
Frequently Asked Questions
Common questions about Be8Cs4F20, answered from cross-validated data.
What is Be8Cs4F20?
Be8Cs4F20 is a thermodynamically stable, insulating fluoride compound composed of beryllium, cesium, and fluorine.
What is Be8Cs4F20 used for?
What is the band gap of Be8Cs4F20?
Is Be8Cs4F20 a metal, semiconductor, or insulator?
Is Be8Cs4F20 thermodynamically stable?
What is the crystal structure of Be8Cs4F20?
What is the density of Be8Cs4F20?
How many polymorphs of Be8Cs4F20 are known?
What elements does Be8Cs4F20 contain?
Where does the data for Be8Cs4F20 come from?
How It Compares
As a unique member of the beryllium-cesium-fluorine family, Be8Cs4F20 serves as a critical reference point for understanding the phase space of complex fluorides. Unlike simpler binary fluorides, this compound exhibits a distinct stoichiometry that contributes to its specific thermodynamic stability, positioning it as a foundational structure for exploring how alkali and alkaline-earth metals interact within complex anionic networks.
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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