MgF2

Magnesium fluoride · Sellaite

Magnesium fluoride is a transparent, stable insulating compound primarily used for its excellent optical properties in lens coatings and specialized glass components.

FMg
Crystal structure of MgF2 (tetragonal, P42/mnm (No. 136))
Ground-state structure · Materials Project
Overview

About Magnesium fluoride

Magnesium fluoride is a thermodynamically stable inorganic compound that serves as a critical material in optical engineering. Its wide-gap insulating nature allows it to remain transparent across a broad range of the electromagnetic spectrum, making it an essential component for high-precision optical systems.

Due to its robust stability and favorable physical properties, it is frequently utilized in the production of thin-film coatings. These coatings are vital for reducing reflection and enhancing the performance of lenses and windows in demanding environments.

At a glance

Key Properties

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

Band Gap

6.38–6.85 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

296
3 databases, 35 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for MgF2, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
P42/mnm (No. 136)tetragonal6.820.0000-7.2983.19
Pnnm (No. 58)orthorhombic6.850.0025-7.2953.04
Pa-3 (No. 205)cubic6.720.0661-7.2323.29
Imma (No. 74)orthorhombic6.470.1002-7.1981.87
C2/m (No. 12)monoclinic6.380.1076-7.1901.91
Pnma (No. 62)orthorhombic0.000.2070-7.0913.43
Amm2 (No. 38)orthorhombic0.000.2636-7.0343.22
P-1 (No. 2)Triclinic1.86
I4/mmm (No. 139)Tetragonal3.73
Cm (No. 8)Monoclinic4.18
C2/m (No. 12)
Pa-3 (No. 205)
Uses

Applications

Where Magnesium fluoride is used.

Optical lens coatingsAnti-reflective coatingsUltraviolet opticsInfrared windows
Reference

Frequently Asked Questions

Common questions about Magnesium fluoride, answered from cross-validated data.

What is MgF2?

Magnesium fluoride is a transparent, stable insulating compound primarily used for its excellent optical properties in lens coatings and specialized glass components.

More questions
What is MgF2 used for?
Magnesium fluoride (MgF2) is used in optical lens coatings, anti-reflective coatings, ultraviolet optics, and infrared windows.
What is the band gap of MgF2?
Magnesium fluoride (MgF2) has a DFT-computed band gap of 6.38–6.85 eV across 296 reported structures.
Is MgF2 a metal, semiconductor, or insulator?
With a wide band gap up to 6.85 eV it is an insulator / wide-band-gap material.
Is MgF2 thermodynamically stable?
Yes — Magnesium fluoride (MgF2) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of MgF2?
The lowest-energy reported polymorph of Magnesium fluoride (MgF2) is tetragonal symmetry, space group P42/mnm (No. 136).
What is the density of MgF2?
The computed density of the ground-state structure of Magnesium fluoride (MgF2) is 3.19 g/cm³.
How many polymorphs of MgF2 are known?
296 structures of MgF2 are reported across 3 databases, spanning 35 distinct space groups.
What elements does MgF2 contain?
Magnesium fluoride (MgF2) contains F and Mg (2 elements).
Where does the data for MgF2 come from?
MgF2 data is cross-referenced from materials_project, mpaloe, jarvis.
Comparison

How It Compares

As a highly stable and well-characterized material, magnesium fluoride stands as a foundational reference point for fluoride-based insulators, representing a standard of reliability in optical and structural applications.

Data sources & attribution
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • mpaloe — Data from mpaloe.
  • jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).

Analyze MgF2 in the Lattice Graph platform

Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.

Explore the Platform →