FeBiSbS4

FeBiSbS4 is a semiconducting quaternary sulfide compound composed of iron, bismuth, antimony, and sulfur.

BiFeSSb
Crystal structure of FeBiSbS4 (orthorhombic, Pnma (No. 62))
Ground-state structure · Materials Project
Overview

About FeBiSbS4

FeBiSbS4 is a quaternary sulfide compound composed of iron, bismuth, antimony, and sulfur. As a semiconducting material, it represents a complex arrangement of heavy metal cations coordinated with chalcogenide anions, which is a subject of interest in exploratory solid-state chemistry.

Because this compound sits above the thermodynamic hull, it is considered a metastable phase. Its existence in structural databases highlights the ongoing effort to synthesize and characterize complex multinary sulfides that may offer unique electronic properties despite their energetic instability.

At a glance

Key Properties

Cross-validated computational properties for FeBiSbS4, aggregated across 3 databases.

Band Gap

0.16 eV
Range across DFT structures

Energy Above Hull

0.179 eV/atom
Best (lowest) across sources

Stability

Above hull
1 DFT source

Structures

3
3 databases, 2 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for FeBiSbS4, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
Pnma (No. 62)orthorhombic0.160.1791-5.2085.84
Pnma (No. 62)
No. 0unknown1.41
Reference

Frequently Asked Questions

Common questions about FeBiSbS4, answered from cross-validated data.

What is FeBiSbS4?

FeBiSbS4 is a semiconducting quaternary sulfide compound composed of iron, bismuth, antimony, and sulfur.

More questions
What is the band gap of FeBiSbS4?
FeBiSbS4 has a DFT-computed band gap of 0.16 eV across 3 reported structures.
Is FeBiSbS4 a metal, semiconductor, or insulator?
With a band gap up to 0.16 eV it is a semiconductor.
Is FeBiSbS4 thermodynamically stable?
FeBiSbS4 has a lowest energy above hull of 0.179 eV/atom (above hull).
What is the crystal structure of FeBiSbS4?
The lowest-energy reported polymorph of FeBiSbS4 is orthorhombic symmetry, space group Pnma (No. 62).
What is the density of FeBiSbS4?
The computed density of the ground-state structure of FeBiSbS4 is 5.84 g/cm³.
How many polymorphs of FeBiSbS4 are known?
3 structures of FeBiSbS4 are reported across 3 databases, spanning 2 distinct space groups.
What elements does FeBiSbS4 contain?
FeBiSbS4 contains Bi, Fe, S, and Sb (4 elements).
Where does the data for FeBiSbS4 come from?
FeBiSbS4 data is cross-referenced from materials_project, jarvis, cod.
Comparison

How It Compares

As a unique quaternary sulfide, FeBiSbS4 serves as an example of the structural diversity found in complex metal-sulfide systems. Unlike more common binary or ternary sulfides, this material demonstrates the intricate chemical combinations possible when balancing multiple heavy metal species within a single lattice.

Data sources & attribution
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
  • cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).

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