H3F2

H3F2 is a thermodynamically stable, insulating compound composed of hydrogen and fluorine that exhibits a wide electronic band gap.

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Crystal structure of H3F2
Ground-state structure · Materials Project
Overview

About H3F2

H3F2 is a unique hydrogen-fluorine compound that exists as a thermodynamically stable phase on the convex hull. As a wide-band-gap insulator, it exhibits distinct electronic characteristics that set it apart from typical metallic or semiconducting hydrogen-based materials.

Its structural complexity is highlighted by a significant number of reported configurations across multiple databases. This diversity in structural arrangements makes it a subject of interest for researchers investigating the fundamental bonding behaviors of light elements under varying conditions.

At a glance

Key Properties

Cross-validated computational properties for H3F2, aggregated across 3 databases.

Band Gap

7.90–8.31 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

49
3 databases, 11 space groups
Reference

Frequently Asked Questions

Common questions about H3F2, answered from cross-validated data.

What is H3F2?

H3F2 is a thermodynamically stable, insulating compound composed of hydrogen and fluorine that exhibits a wide electronic band gap.

More questions
What is the band gap of H3F2?
H3F2 has a DFT-computed band gap of 7.90–8.31 eV across 49 reported structures.
Is H3F2 a metal, semiconductor, or insulator?
With a wide band gap up to 8.31 eV it is an insulator / wide-band-gap material.
Is H3F2 thermodynamically stable?
Yes — H3F2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of H3F2 are known?
49 structures of H3F2 are reported across 3 databases, spanning 11 distinct space groups.
What elements does H3F2 contain?
H3F2 contains F and H (2 elements).
Where does the data for H3F2 come from?
H3F2 data is cross-referenced from latticegraph.
Comparison

How It Compares

As an unclassified material with no direct structural siblings in this context, H3F2 stands as a distinct entity within the landscape of hydrogen-fluorine chemistry, representing a stable, insulating state that serves as a benchmark for theoretical and experimental studies of high-pressure or exotic phase chemistry.

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

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