F40I4Sb4

F40I4Sb4 is a wide-band-gap insulating compound that is theoretically stable enough to be a target for laboratory synthesis.

FISb
Crystal structure of F40I4Sb4 (orthorhombic, Ibca (No. 73))
Ground-state structure · Materials Project
Overview

About F40I4Sb4

F40I4Sb4 is a complex inorganic compound characterized by its insulating electronic nature and wide band gap. Its structural configuration suggests a high degree of chemical specificity, positioning it as a distinct entity within its compositional family.

As a near-hull material, F40I4Sb4 is considered a viable candidate for experimental synthesis. Its stability profile makes it an intriguing subject for researchers investigating the interplay between fluorine, iodine, and antimony in solid-state systems.

At a glance

Key Properties

Cross-validated computational properties for F40I4Sb4, aggregated across 3 databases.

Band Gap

4.07 eV
Range across DFT structures

Energy Above Hull

0.007 eV/atom
Best (lowest) across sources

Stability

Near hull (likely stable)
2 DFT sources

Structures

3
3 databases, 1 space group
Crystallography

Reported Structures

Lowest-energy structures reported for F40I4Sb4, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
Ibca (No. 73)orthorhombic4.070.0074-4.3413.85
Ibca (No. 73)
Ibca (No. 73)
Reference

Frequently Asked Questions

Common questions about F40I4Sb4, answered from cross-validated data.

What is F40I4Sb4?

F40I4Sb4 is a wide-band-gap insulating compound that is theoretically stable enough to be a target for laboratory synthesis.

More questions
What is the band gap of F40I4Sb4?
F40I4Sb4 has a DFT-computed band gap of 4.07 eV across 3 reported structures.
Is F40I4Sb4 a metal, semiconductor, or insulator?
With a wide band gap up to 4.07 eV it is an insulator / wide-band-gap material.
Is F40I4Sb4 thermodynamically stable?
F40I4Sb4 has a lowest energy above hull of 0.007 eV/atom (near hull (likely stable)).
What is the crystal structure of F40I4Sb4?
The lowest-energy reported polymorph of F40I4Sb4 is orthorhombic symmetry, space group Ibca (No. 73).
What is the density of F40I4Sb4?
The computed density of the ground-state structure of F40I4Sb4 is 3.85 g/cm³.
How many polymorphs of F40I4Sb4 are known?
3 structures of F40I4Sb4 are reported across 3 databases, spanning 1 distinct space group.
What elements does F40I4Sb4 contain?
F40I4Sb4 contains F, I, and Sb (3 elements).
Where does the data for F40I4Sb4 come from?
F40I4Sb4 data is cross-referenced from materials_project, nomad, aflow.
Comparison

How It Compares

As a unique inorganic composition, F40I4Sb4 stands as a specialized entry in the database. Without direct structural siblings, it serves as a distinct reference point for exploring the electronic and thermodynamic properties of complex fluoride-iodide-antimony systems.

Data sources & attribution
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
  • aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).

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