AsRhSe
AsRhSe is a thermodynamically stable, semiconducting platinum-group alloy catalyst used in specialized chemical research.
About AsRhSe
AsRhSe is a distinct member of the platinum-group alloy catalyst family, characterized by its semiconducting electronic nature. As a thermodynamically stable compound residing on the convex hull, it represents a robust phase within its compositional space, supported by extensive structural data across multiple databases. Its unique combination of arsenic, rhodium, and selenium allows it to serve as a specialized material in catalytic research. The material is primarily investigated for its potential to facilitate chemical transformations where stable, semiconducting substrates are required to optimize reaction pathways. Its presence on the convex hull suggests a high degree of structural integrity, making it a reliable candidate for long-term catalytic applications in demanding environments.
Key Properties
Cross-validated computational properties for AsRhSe, 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 AsRhSe, 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 | 0.91 | 0.0000 | -18.385 | 8.01 |
| Pmmn (No. 59) | Orthorhombic | — | — | — | 7.24 |
| Pmmn (No. 59) | Orthorhombic | — | — | — | 4.68 |
| Pmmn (No. 59) | Orthorhombic | — | — | — | 5.63 |
| P213 (No. 198) | — | — | — | — | — |
| — | — | — | — | — | 7.45 |
Applications
Where AsRhSe is used.
Frequently Asked Questions
Common questions about AsRhSe, answered from cross-validated data.
What is AsRhSe?
AsRhSe is a thermodynamically stable, semiconducting platinum-group alloy catalyst used in specialized chemical research.
What is AsRhSe used for?
What is the band gap of AsRhSe?
Is AsRhSe a metal, semiconductor, or insulator?
Is AsRhSe thermodynamically stable?
What is the crystal structure of AsRhSe?
What is the density of AsRhSe?
How many polymorphs of AsRhSe are known?
What elements does AsRhSe contain?
Where does the data for AsRhSe come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the diverse class of platinum-group alloy catalysts, AsRhSe occupies a unique niche compared to more metallic counterparts like LaRh or BaPd. While many members of this group exhibit metallic behavior, AsRhSe distinguishes itself through its semiconducting character, placing it in a specialized subset alongside compounds like IrSe2. Its thermodynamic stability ensures it remains a competitive candidate for catalytic cycles where structural persistence is as critical as electronic performance.
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).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
Analyze AsRhSe in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →