Ir4S4Sb4
Ir4S4Sb4 is a thermodynamically stable, semiconducting ternary compound containing iridium, sulfur, and antimony.
About Ir4S4Sb4
Ir4S4Sb4 is a complex inorganic compound composed of iridium, sulfur, and antimony. As a thermodynamically stable material situated on the convex hull, it represents a robust phase that maintains structural integrity under standard conditions.
This material exhibits semiconducting electronic characteristics, making it an intriguing candidate for specialized electronic and optoelectronic applications. Its existence across multiple crystallographic structures highlights its versatility and the significant interest it holds within the research community.
Key Properties
Cross-validated computational properties for Ir4S4Sb4, aggregated across 4 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 Ir4S4Sb4, 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 | 1.40 | 0.0000 | -29.293 | 10.26 |
| Pca21 (No. 29) | orthorhombic | 1.07 | 0.0028 | -29.290 | 10.24 |
| No. 0 | unknown | — | — | — | 2.63 |
| — | — | — | — | — | 10.11 |
| P213 (No. 198) | — | — | — | — | — |
| P213 (No. 198) | — | — | — | — | — |
| Pca21 (No. 29) | — | — | — | — | — |
| — | — | — | — | — | 10.11 |
| — | — | — | — | — | 10.11 |
Applications
Where Ir4S4Sb4 is used.
Frequently Asked Questions
Common questions about Ir4S4Sb4, answered from cross-validated data.
What is Ir4S4Sb4?
Ir4S4Sb4 is a thermodynamically stable, semiconducting ternary compound containing iridium, sulfur, and antimony.
What is Ir4S4Sb4 used for?
What is the band gap of Ir4S4Sb4?
Is Ir4S4Sb4 a metal, semiconductor, or insulator?
Is Ir4S4Sb4 thermodynamically stable?
What is the crystal structure of Ir4S4Sb4?
What is the density of Ir4S4Sb4?
How many polymorphs of Ir4S4Sb4 are known?
What elements does Ir4S4Sb4 contain?
Where does the data for Ir4S4Sb4 come from?
How It Compares
As a unique ternary phase, Ir4S4Sb4 serves as a foundational example of iridium-based chalcogenide-antimonides, demonstrating how the integration of heavy transition metals with p-block elements can yield stable, semiconducting electronic environments.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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