ScOF

ScOF is a thermodynamically stable, insulating oxyfluoride compound known for its diverse structural configurations.

FOSc
Crystal structure of ScOF
Ground-state structure · Materials Project
Overview

About ScOF

ScOF is a thermodynamically stable oxyfluoride compound that exists on the convex hull, indicating significant structural robustness. As a wide-gap insulator, it possesses electronic properties characteristic of highly stable dielectric materials.

Its structural versatility is evidenced by a substantial number of reported configurations across various databases. This diversity makes it a compelling subject for researchers investigating the fundamental behavior of scandium-based inorganic systems.

At a glance

Key Properties

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

Band Gap

4.33–4.60 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

29
3 databases, 14 space groups
Uses

Applications

Where ScOF is used.

Dielectric material researchSolid-state chemistry studiesInorganic structural modeling
Reference

Frequently Asked Questions

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

What is ScOF?

ScOF is a thermodynamically stable, insulating oxyfluoride compound known for its diverse structural configurations.

More questions
What is ScOF used for?
ScOF is used in dielectric material research, solid-state chemistry studies, and inorganic structural modeling.
What is the band gap of ScOF?
ScOF has a DFT-computed band gap of 4.33–4.60 eV across 29 reported structures.
Is ScOF a metal, semiconductor, or insulator?
With a wide band gap up to 4.60 eV it is an insulator / wide-band-gap material.
Is ScOF thermodynamically stable?
Yes — ScOF sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of ScOF are known?
29 structures of ScOF are reported across 3 databases, spanning 14 distinct space groups.
What elements does ScOF contain?
ScOF contains F, O, and Sc (3 elements).
Where does the data for ScOF come from?
ScOF data is cross-referenced from latticegraph.
Comparison

How It Compares

As an unclassified oxyfluoride, ScOF serves as a foundational example of stable ternary scandium compounds. It occupies a unique position in materials science where its insulating nature and thermodynamic stability provide a baseline for exploring the properties of similar metal oxyfluoride frameworks.

Data sources & attribution
  • latticegraph — Lattice Graph Materials Intelligence Platform

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