Cs2F6Mn
Cs2F6Mn is a stable, insulating ternary fluoride compound used in fundamental materials research.
About Cs2F6Mn
Cs2F6Mn is a complex fluoride characterized by its wide-band-gap insulating electronic nature. As a thermodynamically stable phase located on the convex hull, it represents a robust configuration within its chemical system.
This material is of interest for fundamental studies in solid-state chemistry due to its distinct structural arrangement. Its stability suggests potential for specialized applications where insulating properties and chemical resilience are required.
Key Properties
Cross-validated computational properties for Cs2F6Mn, 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 Cs2F6Mn, 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. |
|---|---|---|---|---|---|
| Fm-3m (No. 225) | cubic | 3.38 | 0.0000 | -5.405 | 4.08 |
| — | — | — | — | — | — |
| — | — | — | — | — | 3.80 |
Applications
Where Cs2F6Mn is used.
Frequently Asked Questions
Common questions about Cs2F6Mn, answered from cross-validated data.
What is Cs2F6Mn?
Cs2F6Mn is a stable, insulating ternary fluoride compound used in fundamental materials research.
What is Cs2F6Mn used for?
What is the band gap of Cs2F6Mn?
Is Cs2F6Mn a metal, semiconductor, or insulator?
Is Cs2F6Mn thermodynamically stable?
What is the crystal structure of Cs2F6Mn?
What is the density of Cs2F6Mn?
How many polymorphs of Cs2F6Mn are known?
What elements does Cs2F6Mn contain?
Where does the data for Cs2F6Mn come from?
How It Compares
As a unique entry in its chemical space, Cs2F6Mn serves as a stable reference point for understanding the structural behavior of ternary manganese fluorides. It provides a baseline for evaluating the synthesis and performance of related halide-based materials.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- alexandria — Data from alexandria.
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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