Dy6F2O24Se8

Dy6F2O24Se8 is a stable, wide-band-gap insulating compound composed of dysprosium, fluorine, oxygen, and selenium.

DyFOSe
Crystal structure of Dy6F2O24Se8 (hexagonal, P63mc (No. 186))
Ground-state structure · Materials Project
Overview

About Dy6F2O24Se8

Dy6F2O24Se8 is a complex inorganic compound characterized by its insulating electronic nature and wide-band-gap behavior. As a thermodynamically stable material residing on the convex hull, it represents a robust structural arrangement of dysprosium, fluorine, oxygen, and selenium atoms.

Its stability and electronic properties make it a subject of interest for fundamental materials research. By maintaining a stable configuration, it serves as a reliable candidate for investigations into how rare-earth elements integrate with chalcogenide and oxyfluoride frameworks.

At a glance

Key Properties

Cross-validated computational properties for Dy6F2O24Se8, aggregated across 3 databases.

Band Gap

3.74 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 Dy6F2O24Se8, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
P63mc (No. 186)hexagonal3.740.0000-6.9405.36
P63mc (No. 186)
5.21
Reference

Frequently Asked Questions

Common questions about Dy6F2O24Se8, answered from cross-validated data.

What is Dy6F2O24Se8?

Dy6F2O24Se8 is a stable, wide-band-gap insulating compound composed of dysprosium, fluorine, oxygen, and selenium.

More questions
What is the band gap of Dy6F2O24Se8?
Dy6F2O24Se8 has a DFT-computed band gap of 3.74 eV across 3 reported structures.
Is Dy6F2O24Se8 a metal, semiconductor, or insulator?
With a wide band gap up to 3.74 eV it is an insulator / wide-band-gap material.
Is Dy6F2O24Se8 thermodynamically stable?
Yes — Dy6F2O24Se8 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Dy6F2O24Se8?
The lowest-energy reported polymorph of Dy6F2O24Se8 is hexagonal symmetry, space group P63mc (No. 186).
What is the density of Dy6F2O24Se8?
The computed density of the ground-state structure of Dy6F2O24Se8 is 5.36 g/cm³.
How many polymorphs of Dy6F2O24Se8 are known?
3 structures of Dy6F2O24Se8 are reported across 3 databases, spanning 1 distinct space group.
What elements does Dy6F2O24Se8 contain?
Dy6F2O24Se8 contains Dy, F, O, and Se (4 elements).
Where does the data for Dy6F2O24Se8 come from?
Dy6F2O24Se8 data is cross-referenced from materials_project, aflow, omat24.
Comparison

How It Compares

As a unique inorganic compound, Dy6F2O24Se8 occupies a distinct position within the landscape of complex dysprosium-based materials. While it lacks direct structural siblings in this specific classification, its existence as a stable, wide-gap insulator highlights the versatility of combining rare-earth cations with diverse anionic frameworks to achieve electronic insulation.

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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