AsRuSe
AsRuSe is a semiconducting ternary compound belonging to the platinum-group alloy catalyst family.
About AsRuSe
AsRuSe is a distinct semiconducting compound within the platinum-group alloy catalyst class. Its electronic structure and near-hull thermodynamic stability suggest it is a viable candidate for synthesis and experimental characterization in materials science laboratories.
As a member of this specialized group, AsRuSe is primarily investigated for its potential role in catalytic processes. Its unique combination of arsenic, ruthenium, and selenium provides a platform for exploring how pnictogen and chalcogen integration influences the reactivity of noble metal-based catalysts.
Key Properties
Cross-validated computational properties for AsRuSe, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of AsRuSe. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for AsRuSe, 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. |
|---|---|---|---|---|---|
| P21/c (No. 14) | monoclinic | 0.66 | 0.0000 | -0.402 | — |
| P21/c (No. 14) | monoclinic | 0.73 | 0.0028 | -18.635 | 7.98 |
| — | — | 0.00 | 0.1963 | -0.215 | — |
| — | — | 0.00 | 0.2896 | -0.121 | — |
| — | — | 0.00 | 1.0268 | 0.616 | — |
| — | — | 0.00 | 1.1040 | 0.693 | — |
| P-1 (No. 2) | triclinic | — | — | — | 5.77 |
| P-1 (No. 2) | triclinic | — | — | — | 5.70 |
| P4/nmm (No. 129) | tetragonal | — | — | — | 7.88 |
| Cm (No. 8) | monoclinic | — | — | — | 6.08 |
| P2/c (No. 13) | monoclinic | — | — | — | 5.28 |
| P4/nmm (No. 129) | tetragonal | — | — | — | 8.28 |
Applications
Where AsRuSe is used.
Frequently Asked Questions
Common questions about AsRuSe, answered from cross-validated data.
What is AsRuSe?
AsRuSe is a semiconducting ternary compound belonging to the platinum-group alloy catalyst family.
What is AsRuSe used for?
What is the band gap of AsRuSe?
Is AsRuSe a metal, semiconductor, or insulator?
Is AsRuSe thermodynamically stable?
What is the crystal structure of AsRuSe?
How many polymorphs of AsRuSe are known?
What elements does AsRuSe contain?
Where does the data for AsRuSe come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the diverse family of platinum-group alloys, AsRuSe occupies a niche position alongside materials like GeRu and IrSe2. While many of its siblings are characterized by metallic behavior, AsRuSe distinguishes itself through its semiconducting electronic profile, offering a different pathway for charge transport and surface interaction compared to more conventional metallic catalysts like P3Ru.
Related Compounds
Other Platinum-Group Alloy Catalysts in the database.
Data sources & attribution
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
Analyze AsRuSe in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 85 source databases.
Explore the Platform →