Be12F48K8Mn8

Be12F48K8Mn8 is a stable, wide-gap insulating fluoride compound composed of beryllium, fluorine, potassium, and manganese.

BeFKMn
Crystal structure of Be12F48K8Mn8 (monoclinic, P21 (No. 4))
Ground-state structure · Materials Project
Overview

About Be12F48K8Mn8

Be12F48K8Mn8 is a complex fluoride compound characterized by its insulating electronic nature and high thermodynamic stability. As a member of the broader fluoride material class, its structural arrangement is notable for residing on the convex hull, indicating a highly favorable energetic state.

This material is of significant interest in solid-state chemistry due to its unique combination of beryllium, manganese, and potassium constituents. Its wide-gap insulating properties suggest potential utility in applications where dielectric performance or structural stability in complex ionic environments is required.

At a glance

Key Properties

Cross-validated computational properties for Be12F48K8Mn8, aggregated across 3 databases.

Band Gap

4.65–4.72 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
1 DFT source

Structures

4
3 databases, 3 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for Be12F48K8Mn8, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
P21 (No. 4)monoclinic4.720.0000-6.1782.74
P213 (No. 198)cubic4.650.1476-6.0312.68
P213 (No. 198)—————
No. 0unknown———1.45
Uses

Applications

Where Be12F48K8Mn8 is used.

Solid-state material researchDielectric material studiesFundamental inorganic chemistry
Reference

Frequently Asked Questions

Common questions about Be12F48K8Mn8, answered from cross-validated data.

What is Be12F48K8Mn8?

Be12F48K8Mn8 is a stable, wide-gap insulating fluoride compound composed of beryllium, fluorine, potassium, and manganese.

More questions
What is Be12F48K8Mn8 used for?
Be12F48K8Mn8 is used in solid-state material research, dielectric material studies, and fundamental inorganic chemistry.
What is the band gap of Be12F48K8Mn8?
Be12F48K8Mn8 has a DFT-computed band gap of 4.65–4.72 eV across 4 reported structures.
Is Be12F48K8Mn8 a metal, semiconductor, or insulator?
With a wide band gap up to 4.72 eV it is an insulator / wide-band-gap material.
Is Be12F48K8Mn8 thermodynamically stable?
Yes — Be12F48K8Mn8 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Be12F48K8Mn8?
The lowest-energy reported polymorph of Be12F48K8Mn8 is monoclinic symmetry, space group P21 (No. 4).
What is the density of Be12F48K8Mn8?
The computed density of the ground-state structure of Be12F48K8Mn8 is 2.74 g/cm³.
How many polymorphs of Be12F48K8Mn8 are known?
4 structures of Be12F48K8Mn8 are reported across 3 databases, spanning 3 distinct space groups.
What elements does Be12F48K8Mn8 contain?
Be12F48K8Mn8 contains Be, F, K, and Mn (4 elements).
Where does the data for Be12F48K8Mn8 come from?
Be12F48K8Mn8 data is cross-referenced from materials_project, aflow, cod.
Comparison

How It Compares

As a thermodynamically stable fluoride, Be12F48K8Mn8 represents a distinct structural arrangement within the landscape of complex insulating materials. It serves as a benchmark for stability in multi-component fluoride systems, providing a robust framework for exploring the interplay between transition metals and alkaline earth elements in insulating lattices.

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).
  • cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).

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