K2MnF6
Potassium hexafluoromanganate(IV) · Potassium fluormanganate
K2MnF6 is a stable, insulating fluoride compound widely used as a precursor for creating red-emitting phosphors in modern display and lighting technologies.
About Potassium hexafluoromanganate(IV)
K2MnF6 is a robust, thermodynamically stable inorganic fluoride that functions as a wide-band-gap insulator. Its structural integrity is well-documented, with numerous reported crystalline configurations that underscore its significance in solid-state chemistry.
This compound is primarily utilized as a critical precursor for the synthesis of red-emitting phosphors. By serving as a manganese source, it enables the precise doping required for high-efficiency display technologies and energy-efficient lighting solutions.
Key Properties
Cross-validated computational properties for Potassium hexafluoromanganate(IV), 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of K2MnF6. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for K2MnF6, 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. |
|---|---|---|---|---|---|
| P63mc (No. 186) | hexagonal | 3.31 | 0.0000 | -5.440 | 3.21 |
| — | — | 2.69 | 0.0000 | -2.923 | — |
| P63mc (No. 186) | hexagonal | 2.45 | 0.0000 | -2.848 | — |
| — | — | 2.44 | 0.0026 | -2.921 | — |
| Fm-3m (No. 225) | cubic | 2.42 | 0.0046 | -2.843 | — |
| Fm-3m (No. 225) | cubic | 3.35 | 0.0056 | -5.434 | 3.12 |
| — | — | 2.56 | 0.0066 | -2.917 | — |
| — | — | 2.58 | 0.0163 | -2.907 | — |
| Fm-3m (No. 225) | cubic | 0.00 | 0.2009 | -2.647 | — |
| P63mc (No. 186) | hexagonal | — | — | — | 2.92 |
| P63mc (No. 186) | hexagonal | — | — | — | 3.12 |
| P63mc (No. 186) | hexagonal | — | — | — | 3.03 |
Applications
Where Potassium hexafluoromanganate(IV) is used.
Frequently Asked Questions
Common questions about Potassium hexafluoromanganate(IV), answered from cross-validated data.
What is K2MnF6?
K2MnF6 is a stable, insulating fluoride compound widely used as a precursor for creating red-emitting phosphors in modern display and lighting technologies.
What is K2MnF6 used for?
What is the band gap of K2MnF6?
Is K2MnF6 a metal, semiconductor, or insulator?
Is K2MnF6 thermodynamically stable?
What is the crystal structure of K2MnF6?
How many polymorphs of K2MnF6 are known?
What elements does K2MnF6 contain?
Where does the data for K2MnF6 come from?
How It Compares
As a stable fluoride, K2MnF6 represents a specialized class of manganese-based materials that are essential for high-performance optical applications. Unlike many complex transition metal halides that may be prone to instability, this compound occupies a favorable position on the convex hull, making it a reliable and highly studied choice for industrial chemical synthesis.
Data sources & attribution
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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