Cs6F18Mn6
Cs6F18Mn6 is a thermodynamically stable, wide-band-gap insulating fluoride compound composed of cesium, fluorine, and manganese.
About Cs6F18Mn6
Cs6F18Mn6 is a complex fluoride compound that exhibits a stable thermodynamic profile, placing it securely on the convex hull of its constituent elements. Its structural integrity and chemical composition make it a subject of interest for researchers investigating advanced inorganic fluoride materials.
As a wide-band-gap insulator, this material possesses electronic properties typical of stable dielectric solids. The compound's existence across multiple structural configurations highlights its versatility and the potential for diverse coordination environments within its crystal lattice.
Key Properties
Cross-validated computational properties for Cs6F18Mn6, 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 Cs6F18Mn6, 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. |
|---|---|---|---|---|---|
| P63/mmc (No. 194) | hexagonal | 3.46 | 0.0000 | -6.150 | 4.83 |
| — | — | — | — | — | 4.16 |
| P63/mmc (No. 194) | — | — | — | — | — |
| P63/mmc (No. 194) | — | — | — | — | — |
Frequently Asked Questions
Common questions about Cs6F18Mn6, answered from cross-validated data.
What is Cs6F18Mn6?
Cs6F18Mn6 is a thermodynamically stable, wide-band-gap insulating fluoride compound composed of cesium, fluorine, and manganese.
What is the band gap of Cs6F18Mn6?
Is Cs6F18Mn6 a metal, semiconductor, or insulator?
Is Cs6F18Mn6 thermodynamically stable?
What is the crystal structure of Cs6F18Mn6?
What is the density of Cs6F18Mn6?
How many polymorphs of Cs6F18Mn6 are known?
What elements does Cs6F18Mn6 contain?
Where does the data for Cs6F18Mn6 come from?
How It Compares
As a distinct inorganic fluoride, Cs6F18Mn6 serves as a stable reference point for understanding the interplay between cesium, fluorine, and manganese in complex solid-state architectures. It represents a unique structural arrangement within the broader field of ternary fluoride chemistry.
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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