Ge12Ir8Se12
Ge12Ir8Se12 is a thermodynamically stable semiconducting ternary alloy containing germanium, iridium, and selenium.
About Ge12Ir8Se12
Ge12Ir8Se12 is a complex ternary compound within the platinum-group alloy catalyst class. Characterized by its semiconducting electronic nature, it occupies a stable position on the thermodynamic convex hull, indicating significant structural robustness under standard conditions. Its unique composition of germanium, iridium, and selenium suggests specialized electronic behavior that distinguishes it from simpler binary alloys. The material is a subject of ongoing interest in materials science due to its well-defined structural configurations across multiple databases. Its stability and semiconducting properties make it a compelling candidate for research into advanced catalytic processes where electronic tuning is essential for performance. By bridging the gap between traditional precious metal catalysts and semiconductor physics, this compound offers a distinct pathway for designing high-performance materials.
Key Properties
Cross-validated computational properties for Ge12Ir8Se12, 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 Ge12Ir8Se12, 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. |
|---|---|---|---|---|---|
| R-3 (No. 148) | trigonal | 0.59 | 0.0000 | -5.902 | 8.72 |
| Pm-3 (No. 200) | cubic | 0.00 | 0.3400 | -5.562 | 8.31 |
| — | — | — | — | — | 7.65 |
| Pm-3 (No. 200) | — | — | — | — | — |
Applications
Where Ge12Ir8Se12 is used.
Frequently Asked Questions
Common questions about Ge12Ir8Se12, answered from cross-validated data.
What is Ge12Ir8Se12?
Ge12Ir8Se12 is a thermodynamically stable semiconducting ternary alloy containing germanium, iridium, and selenium.
What is Ge12Ir8Se12 used for?
What is the band gap of Ge12Ir8Se12?
Is Ge12Ir8Se12 a metal, semiconductor, or insulator?
Is Ge12Ir8Se12 thermodynamically stable?
What is the crystal structure of Ge12Ir8Se12?
What is the density of Ge12Ir8Se12?
How many polymorphs of Ge12Ir8Se12 are known?
What elements does Ge12Ir8Se12 contain?
Where does the data for Ge12Ir8Se12 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Unlike simpler binary counterparts such as IrSe2 or GeRu, Ge12Ir8Se12 represents a more intricate ternary arrangement that leverages the interplay between iridium and germanium to achieve thermodynamic stability. While many members of this class, including As2Ir or BaPd, focus on specific metallic or semi-metallic behaviors, this compound utilizes its semiconducting nature to provide a different electronic environment for potential catalytic applications.
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).
- 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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