Bi4Ir4S4
Bi4Ir4S4 is a stable, semiconducting ternary compound consisting of bismuth, iridium, and sulfur.
About Bi4Ir4S4
Bi4Ir4S4 is a specialized inorganic compound composed of bismuth, iridium, and sulfur. As a thermodynamically stable material residing on the convex hull, it represents a robust structural arrangement that is of significant interest for fundamental solid-state studies.
The material exhibits semiconducting electronic character, positioning it as a candidate for investigation in electronic and optoelectronic applications. Its existence across multiple structural databases highlights its importance as a well-defined phase in complex ternary chalcogenide systems.
Key Properties
Cross-validated computational properties for Bi4Ir4S4, aggregated across 3 databases.
Band GapEnergy needed to move an electron from the valence band to the conduction band. Lower or zero values tend to behave more metallic; larger gaps are more insulating or semiconducting.
Energy Above HullThermodynamic distance from the most stable set of competing phases. 0 eV/atom is on the convex hull; small positive values may still be experimentally accessible.
StabilityA plain-language summary of the best reported energy-above-hull result. It reflects whether the lowest-energy structure is on, near, or far from the stability hull.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Reported Structures
Lowest-energy structures reported for Bi4Ir4S4, ranked by energy above hull.
| Space GroupSymmetry classification of the crystal arrangement. The number is the international space-group index. | Crystal SystemBroad lattice family, such as cubic, tetragonal, monoclinic, or triclinic, derived from unit-cell symmetry. | Band Gap (eV)Electronic gap calculated for this specific reported structure, measured in electronvolts. | E above hull (eV/atom)Thermodynamic distance from the convex hull for this structure, normalized per atom. Lower is generally more stable. | E/atom (eV)Computed total energy normalized per atom. Use energy above hull, not this value alone, when comparing stability. | Density (g/cm³)Mass per relaxed crystal volume, reported in grams per cubic centimeter. |
|---|---|---|---|---|---|
| P213 (No. 198) | cubic | 0.69 | 0.0000 | -6.041 | 11.96 |
| P213 (No. 198) | — | — | — | — | — |
| — | — | — | — | — | 11.10 |
Applications
Where Bi4Ir4S4 is used.
Frequently Asked Questions
Common questions about Bi4Ir4S4, answered from cross-validated data.
What is Bi4Ir4S4?
Bi4Ir4S4 is a stable, semiconducting ternary compound consisting of bismuth, iridium, and sulfur.
What is Bi4Ir4S4 used for?
What is the band gap of Bi4Ir4S4?
Is Bi4Ir4S4 a metal, semiconductor, or insulator?
Is Bi4Ir4S4 thermodynamically stable?
What is the crystal structure of Bi4Ir4S4?
What is the density of Bi4Ir4S4?
How many polymorphs of Bi4Ir4S4 are known?
What elements does Bi4Ir4S4 contain?
Where does the data for Bi4Ir4S4 come from?
How It Compares
As a unique ternary phase, Bi4Ir4S4 occupies a distinct niche in materials science. Without direct structural siblings in this specific chemical family, it serves as a primary reference point for understanding the interplay between heavy metal cations and chalcogenide anions in stable, semiconducting configurations.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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