KMnF4
KMnF4 is a stable, semiconducting inorganic compound composed of potassium, manganese, and fluorine.
About KMnF4
KMnF4 is a distinct inorganic fluoride compound characterized by its semiconducting electronic nature. As a thermodynamically stable phase residing on the convex hull, it represents a robust configuration of potassium, manganese, and fluorine atoms that maintains structural integrity under standard conditions.
The compound is notable for its structural diversity, supported by multiple reported crystalline arrangements across various databases. This versatility makes it an intriguing subject for fundamental investigations into transition metal fluoride chemistry and the development of specialized electronic materials.
Key Properties
Cross-validated computational properties for KMnF4, 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 KMnF4. 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 KMnF4, 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. |
|---|---|---|---|---|---|
| P21/c (No. 14) | monoclinic | 2.15 | 0.0000 | -5.940 | 3.35 |
| P21/c (No. 14) | monoclinic | 0.97 | 0.0000 | -2.796 | — |
| — | — | 0.00 | 0.0000 | -2.904 | — |
| — | — | 0.86 | 0.0056 | -2.898 | — |
| — | — | 1.00 | 0.0250 | -2.879 | — |
| P21/c (No. 14) | monoclinic | — | — | — | 3.31 |
| P21/c (No. 14) | monoclinic | — | — | — | 3.33 |
| P21/c (No. 14) | monoclinic | — | — | — | 3.22 |
| P21/c (No. 14) | monoclinic | — | — | — | 3.09 |
| P21/c (No. 14) | monoclinic | — | — | — | 3.30 |
Applications
Where KMnF4 is used.
Frequently Asked Questions
Common questions about KMnF4, answered from cross-validated data.
What is KMnF4?
KMnF4 is a stable, semiconducting inorganic compound composed of potassium, manganese, and fluorine.
What is KMnF4 used for?
What is the band gap of KMnF4?
Is KMnF4 a metal, semiconductor, or insulator?
Is KMnF4 thermodynamically stable?
What is the crystal structure of KMnF4?
What is the density of KMnF4?
How many polymorphs of KMnF4 are known?
What elements does KMnF4 contain?
Where does the data for KMnF4 come from?
How It Compares
As a unique fluoride phase, KMnF4 occupies a specific niche in materials science where its thermodynamic stability and semiconducting behavior allow it to serve as a baseline for understanding the electronic properties of complex ternary manganese-based systems.
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)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- 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)
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
Analyze KMnF4 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 85 source databases.
Explore the Platform →