Bi4Ir4Se4
Bi4Ir4Se4 is a stable, semiconducting ternary alloy containing bismuth, iridium, and selenium used in catalytic research.
About Bi4Ir4Se4
Bi4Ir4Se4 is a specialized semiconducting material within the platinum-group alloy catalyst class. Its position on the convex hull confirms its thermodynamic stability, making it a robust candidate for research into complex electronic and catalytic systems.
This compound represents a sophisticated integration of bismuth, iridium, and selenium. Its unique electronic character and structural integrity are of significant interest for developing next-generation catalysts that require precise control over charge transport and chemical reactivity.
Key Properties
Cross-validated computational properties for Bi4Ir4Se4, 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 Bi4Ir4Se4, 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 | 0.53 | 0.0000 | -42.064 | 12.47 |
| P213 (No. 198) | — | — | — | — | — |
| — | — | — | — | — | 10.10 |
Applications
Where Bi4Ir4Se4 is used.
Frequently Asked Questions
Common questions about Bi4Ir4Se4, answered from cross-validated data.
What is Bi4Ir4Se4?
Bi4Ir4Se4 is a stable, semiconducting ternary alloy containing bismuth, iridium, and selenium used in catalytic research.
What is Bi4Ir4Se4 used for?
What is the band gap of Bi4Ir4Se4?
Is Bi4Ir4Se4 a metal, semiconductor, or insulator?
Is Bi4Ir4Se4 thermodynamically stable?
What is the crystal structure of Bi4Ir4Se4?
What is the density of Bi4Ir4Se4?
How many polymorphs of Bi4Ir4Se4 are known?
What elements does Bi4Ir4Se4 contain?
Where does the data for Bi4Ir4Se4 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Unlike more common binary platinum-group alloys such as IrSe2 or As2Ir, Bi4Ir4Se4 features a more complex ternary composition that broadens the structural landscape of the class. While simpler members like BaPd or LaRh often focus on metallic conductivity, this compound distinguishes itself through its semiconducting nature, offering a specialized alternative for catalytic applications where distinct electronic tuning is required.
Related Compounds
Other Platinum-Group Alloy Catalysts in the database.
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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