F6Mg2Na2

F6Mg2Na2 is a stable, insulating fluoride compound composed of magnesium, sodium, and fluorine.

FMgNa
Crystal structure of F6Mg2Na2 (orthorhombic, Pnma (No. 62))
Ground-state structure · Materials Project
Overview

About F6Mg2Na2

F6Mg2Na2 is a complex fluoride compound characterized by its insulating electronic nature and high thermodynamic stability. As a material residing on the convex hull, it represents a robust phase that maintains structural integrity under standard conditions. Its composition of magnesium, sodium, and fluorine points toward a crystalline framework typical of stable halide-based inorganic solids. The material is of significant interest for fundamental solid-state chemistry studies, particularly where high-stability insulating lattices are required for theoretical modeling or specialized applications. Its existence across multiple structural databases underscores its relevance as a well-defined, reproducible phase in materials science.

At a glance

Key Properties

Cross-validated computational properties for F6Mg2Na2, aggregated across 4 databases.

Band Gap

5.93–6.75 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

7
4 databases, 5 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for F6Mg2Na2, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
Pnma (No. 62)orthorhombic6.750.0000-6.9293.15
Cmcm (No. 63)orthorhombic6.620.0314-6.8983.23
Pm-3m (No. 221)cubic5.930.0416-6.8882.81
No. 0unknown1.11
Cmc21 (No. 36)
Cmcm (No. 63)
1.84
Uses

Applications

Where F6Mg2Na2 is used.

Solid-state chemistry researchFundamental materials modelingInsulating dielectric studies
Reference

Frequently Asked Questions

Common questions about F6Mg2Na2, answered from cross-validated data.

What is F6Mg2Na2?

F6Mg2Na2 is a stable, insulating fluoride compound composed of magnesium, sodium, and fluorine.

More questions
What is F6Mg2Na2 used for?
F6Mg2Na2 is used in solid-state chemistry research, fundamental materials modeling, and insulating dielectric studies.
What is the band gap of F6Mg2Na2?
F6Mg2Na2 has a DFT-computed band gap of 5.93–6.75 eV across 7 reported structures.
Is F6Mg2Na2 a metal, semiconductor, or insulator?
With a wide band gap up to 6.75 eV it is an insulator / wide-band-gap material.
Is F6Mg2Na2 thermodynamically stable?
Yes — F6Mg2Na2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of F6Mg2Na2?
The lowest-energy reported polymorph of F6Mg2Na2 is orthorhombic symmetry, space group Pnma (No. 62).
What is the density of F6Mg2Na2?
The computed density of the ground-state structure of F6Mg2Na2 is 3.15 g/cm³.
How many polymorphs of F6Mg2Na2 are known?
7 structures of F6Mg2Na2 are reported across 4 databases, spanning 5 distinct space groups.
What elements does F6Mg2Na2 contain?
F6Mg2Na2 contains F, Mg, and Na (3 elements).
Where does the data for F6Mg2Na2 come from?
F6Mg2Na2 data is cross-referenced from materials_project, cod, aflow, omat24.
Comparison

How It Compares

As a thermodynamically stable fluoride, F6Mg2Na2 serves as a foundational example of multi-cation halide systems. While it lacks direct structural siblings in this specific classification, it stands as a representative model for how magnesium and sodium can coexist within a stable fluorine-rich lattice to create a wide-gap insulating material.

Data sources & attribution
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
  • 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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