F7K3Mn2
F7K3Mn2 is a stable, semiconducting fluoride compound composed of potassium, manganese, and fluorine.
About F7K3Mn2
F7K3Mn2 is a complex fluoride compound characterized by its semiconducting electronic nature. As a material that resides on the convex hull, it exhibits significant thermodynamic stability, making it a robust candidate for structural and chemical investigations.
With multiple reported structures across various databases, this compound represents a well-documented entry in the field of inorganic fluorides. Its specific arrangement of potassium, manganese, and fluorine atoms provides a distinct framework that is of interest for fundamental solid-state research.
Key Properties
Cross-validated computational properties for F7K3Mn2, 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 F7K3Mn2, 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. |
|---|---|---|---|---|---|
| I4/mmm (No. 139) | tetragonal | 0.71 | 0.0000 | -5.928 | 3.20 |
| I4/mmm (No. 139) | — | — | — | — | — |
| — | — | — | — | — | 2.06 |
| — | — | — | — | — | 2.63 |
Frequently Asked Questions
Common questions about F7K3Mn2, answered from cross-validated data.
What is F7K3Mn2?
F7K3Mn2 is a stable, semiconducting fluoride compound composed of potassium, manganese, and fluorine.
What is the band gap of F7K3Mn2?
Is F7K3Mn2 a metal, semiconductor, or insulator?
Is F7K3Mn2 thermodynamically stable?
What is the crystal structure of F7K3Mn2?
What is the density of F7K3Mn2?
How many polymorphs of F7K3Mn2 are known?
What elements does F7K3Mn2 contain?
Where does the data for F7K3Mn2 come from?
How It Compares
As a unique inorganic fluoride, F7K3Mn2 occupies a specialized niche within its chemical class. While it lacks direct structural siblings in this context, its stability and semiconducting character distinguish it as a reliable reference point for studying the interplay between transition metals and halide frameworks.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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