F6O18Re6

F6O18Re6 is a thermodynamically stable, insulating inorganic compound composed of rhenium, oxygen, and fluorine.

FORe
Crystal structure of F6O18Re6 (monoclinic, P2/c (No. 13))
Ground-state structure · Materials Project
Overview

About F6O18Re6

F6O18Re6 is a complex inorganic compound composed of fluorine, oxygen, and rhenium. As a thermodynamically stable phase located on the convex hull, it represents a robust structural arrangement that maintains its integrity under standard conditions.

This material functions as a wide-band-gap insulator, characterized by its lack of free charge carriers. Its electronic nature makes it a subject of interest for fundamental materials research where insulating behavior combined with heavy-metal coordination is required.

At a glance

Key Properties

Cross-validated computational properties for F6O18Re6, aggregated across 3 databases.

Band Gap

3.01 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

3
3 databases, 1 space group
Crystallography

Reported Structures

Lowest-energy structures reported for F6O18Re6, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
P2/c (No. 13)monoclinic3.010.0000-8.0275.81
P2/c (No. 13)
5.03
Uses

Applications

Where F6O18Re6 is used.

Fundamental materials researchSolid-state chemistry studies
Reference

Frequently Asked Questions

Common questions about F6O18Re6, answered from cross-validated data.

What is F6O18Re6?

F6O18Re6 is a thermodynamically stable, insulating inorganic compound composed of rhenium, oxygen, and fluorine.

More questions
What is F6O18Re6 used for?
F6O18Re6 is used in fundamental materials research and solid-state chemistry studies.
What is the band gap of F6O18Re6?
F6O18Re6 has a DFT-computed band gap of 3.01 eV across 3 reported structures.
Is F6O18Re6 a metal, semiconductor, or insulator?
With a wide band gap up to 3.01 eV it is an insulator / wide-band-gap material.
Is F6O18Re6 thermodynamically stable?
Yes — F6O18Re6 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of F6O18Re6?
The lowest-energy reported polymorph of F6O18Re6 is monoclinic symmetry, space group P2/c (No. 13).
What is the density of F6O18Re6?
The computed density of the ground-state structure of F6O18Re6 is 5.81 g/cm³.
How many polymorphs of F6O18Re6 are known?
3 structures of F6O18Re6 are reported across 3 databases, spanning 1 distinct space group.
What elements does F6O18Re6 contain?
F6O18Re6 contains F, O, and Re (3 elements).
Where does the data for F6O18Re6 come from?
F6O18Re6 data is cross-referenced from materials_project, aflow, omat24.
Comparison

How It Compares

As a unique inorganic phase, F6O18Re6 occupies a distinct position in materials science, serving as a specialized example of rhenium-based oxyfluoride chemistry. Its stability and insulating properties distinguish it from more conductive or reactive metallic compounds, marking it as a significant reference point for future studies in this chemical space.

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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