KMnF4

KMnF4 is a stable, semiconducting inorganic compound composed of potassium, manganese, and fluorine.

FKMn
Crystal structure of KMnF4 (monoclinic, P21/c (No. 14))
Ground-state structure · Materials Project
Overview

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.

At a glance

Key Properties

Cross-validated computational properties for KMnF4, aggregated across 3 databases.

Band Gap

2.15 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

5
3 databases, 1 space group
Crystallography

Reported Structures

Lowest-energy structures reported for KMnF4, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
P21/c (No. 14)monoclinic2.150.0000-5.9403.35
P21/c (No. 14)
P21/c (No. 14)Monoclinic3.09
P21/c (No. 14)Monoclinic3.30
P21/c (No. 14)Monoclinic3.22
Uses

Applications

Where KMnF4 is used.

Fundamental materials researchSolid-state chemistry studiesTransition metal fluoride development
Reference

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.

More questions
What is KMnF4 used for?
KMnF4 is used in fundamental materials research, solid-state chemistry studies, and transition metal fluoride development.
What is the band gap of KMnF4?
KMnF4 has a DFT-computed band gap of 2.15 eV across 5 reported structures.
Is KMnF4 a metal, semiconductor, or insulator?
With a band gap up to 2.15 eV it is a semiconductor.
Is KMnF4 thermodynamically stable?
Yes — KMnF4 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of KMnF4?
The lowest-energy reported polymorph of KMnF4 is monoclinic symmetry, space group P21/c (No. 14).
What is the density of KMnF4?
The computed density of the ground-state structure of KMnF4 is 3.35 g/cm³.
How many polymorphs of KMnF4 are known?
5 structures of KMnF4 are reported across 3 databases, spanning 1 distinct space group.
What elements does KMnF4 contain?
KMnF4 contains F, K, and Mn (3 elements).
Where does the data for KMnF4 come from?
KMnF4 data is cross-referenced from materials_project, jarvis, mpaloe.
Comparison

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. 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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