BiFO

BiFO is a thermodynamically stable, wide-gap insulating compound composed of bismuth, fluorine, and oxygen.

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

About BiFO

BiFO is a distinct inorganic compound composed of bismuth, fluorine, and oxygen. As a thermodynamically stable phase residing on the convex hull, it represents a robust configuration of these elements that maintains structural integrity under standard conditions. Its nature as a wide-gap insulator suggests that it does not readily conduct electricity, making it an interesting candidate for specialized dielectric or insulating applications. The material is characterized by a significant degree of structural diversity, with numerous reported arrangements across various databases, highlighting its complex coordination chemistry. This structural richness provides a broad foundation for investigating how different atomic arrangements influence the physical behavior of bismuth-based oxyfluorides.

At a glance

Key Properties

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

Band Gap

2.38–3.76 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

23
4 databases, 10 space groups
Validation

Cross-Source DFT Agreement

How well independent DFT databases agree on the thermodynamics of BiFO. Tight agreement means computed properties can be trusted without re-running calculations.

Agreement Score

1.00 / 1.00
Trust tier: medium

Hull Spread

0.000 eV
EAH spread across sources

Sources Compared

1
materials_project

Space Group Consensus

All match
Uses

Applications

Where BiFO is used.

Dielectric materials researchInsulating thin-film studiesSolid-state chemistry research
Reference

Frequently Asked Questions

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

What is BiFO?

BiFO is a thermodynamically stable, wide-gap insulating compound composed of bismuth, fluorine, and oxygen.

More questions
What is BiFO used for?
BiFO is used in dielectric materials research, insulating thin-film studies, and solid-state chemistry research.
What is the band gap of BiFO?
BiFO has a DFT-computed band gap of 2.38–3.76 eV across 23 reported structures.
Is BiFO a metal, semiconductor, or insulator?
With a wide band gap up to 3.76 eV it is an insulator / wide-band-gap material.
Is BiFO thermodynamically stable?
Yes — BiFO sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of BiFO are known?
23 structures of BiFO are reported across 4 databases, spanning 10 distinct space groups.
What elements does BiFO contain?
BiFO contains Bi, F, and O (3 elements).
Where does the data for BiFO come from?
BiFO data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique bismuth oxyfluoride, BiFO occupies a specialized niche in materials science. Without direct structural siblings in this specific class, it serves as a primary reference point for understanding the interplay between heavy metal cations and electronegative anions in insulating frameworks.

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

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