KRbMnF6
KRbMnF6 is a potentially synthesizable insulating fluoride compound containing potassium, rubidium, and manganese.
About KRbMnF6
KRbMnF6 is a complex fluoride material characterized by its insulating electronic nature and wide-band-gap profile. As a multi-cation fluoride, it represents a specific structural arrangement of potassium, rubidium, and manganese ions within a fluorine lattice.
Due to its near-hull thermodynamic stability, this compound is considered a promising target for laboratory synthesis. Its structural characteristics, supported by multiple entries across materials databases, make it a subject of interest for researchers exploring new inorganic fluoride frameworks.
Key Properties
Cross-validated computational properties for KRbMnF6, 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 KRbMnF6, 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. |
|---|---|---|---|---|---|
| F-43m (No. 216) | cubic | 3.34 | 0.0066 | -5.420 | 3.13 |
| F-43m (No. 216) | — | — | — | — | — |
| F-43m (No. 216) | Cubic | — | — | — | 3.24 |
| F-43m (No. 216) | Cubic | — | — | — | 3.13 |
| F-43m (No. 216) | Cubic | — | — | — | 3.34 |
Applications
Where KRbMnF6 is used.
Frequently Asked Questions
Common questions about KRbMnF6, answered from cross-validated data.
What is KRbMnF6?
KRbMnF6 is a potentially synthesizable insulating fluoride compound containing potassium, rubidium, and manganese.
What is KRbMnF6 used for?
What is the band gap of KRbMnF6?
Is KRbMnF6 a metal, semiconductor, or insulator?
Is KRbMnF6 thermodynamically stable?
What is the crystal structure of KRbMnF6?
What is the density of KRbMnF6?
How many polymorphs of KRbMnF6 are known?
What elements does KRbMnF6 contain?
Where does the data for KRbMnF6 come from?
How It Compares
As a unique multi-cation fluoride, KRbMnF6 serves as a distinct example of how alkali metals can be combined with transition metals to create stable insulating frameworks. While it does not share its immediate class with other specific compounds in this context, it functions as a representative of complex fluoride chemistry where structural diversity is driven by the interplay of different ionic radii.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
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