Te2Ru
Te2Ru is a stable, semiconducting alloy composed of ruthenium and tellurium, primarily studied for its potential applications in catalysis and electronic materials.
About Te2Ru
Te2Ru is a thermodynamically stable compound within the platinum-group alloy catalyst class. Characterized by its semiconducting electronic nature, this material represents a robust structural configuration that sits firmly on the convex hull, indicating significant stability under standard conditions.
With extensive documentation across multiple structural databases, this compound is a subject of interest for researchers investigating transition metal chalcogenides. Its unique electronic properties make it a valuable candidate for exploring catalytic mechanisms and semiconductor physics in complex alloy systems.
Key Properties
Cross-validated computational properties for Te2Ru, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of Te2Ru. 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 Te2Ru, 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. |
|---|---|---|---|---|---|
| Pnnm (No. 58) | orthorhombic | 0.35 | 0.0000 | -0.289 | — |
| — | — | 0.34 | 0.0000 | -0.331 | — |
| Pnnm (No. 58) | orthorhombic | 0.28 | 0.0000 | -25.826 | 8.53 |
| Pa-3 (No. 205) | cubic | 0.10 | 0.0030 | -0.286 | — |
| — | — | 0.25 | 0.0060 | -0.325 | — |
| Pa-3 (No. 205) | cubic | 0.11 | 0.0117 | -25.814 | 8.86 |
| C2/m (No. 12) | monoclinic | 0.00 | 0.1991 | -0.090 | — |
| — | — | 0.00 | 0.2125 | -0.118 | — |
| — | — | 0.00 | 0.2302 | -0.101 | — |
| — | — | 0.00 | 0.2707 | -0.060 | — |
| — | — | 0.00 | 0.2789 | -0.052 | — |
| — | — | 0.00 | 0.5712 | 0.240 | — |
Applications
Where Te2Ru is used.
Frequently Asked Questions
Common questions about Te2Ru, answered from cross-validated data.
What is Te2Ru?
Te2Ru is a stable, semiconducting alloy composed of ruthenium and tellurium, primarily studied for its potential applications in catalysis and electronic materials.
What is Te2Ru used for?
What is the band gap of Te2Ru?
Is Te2Ru a metal, semiconductor, or insulator?
Is Te2Ru thermodynamically stable?
What is the crystal structure of Te2Ru?
How many polymorphs of Te2Ru are known?
What elements does Te2Ru contain?
Where does the data for Te2Ru come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the diverse family of platinum-group alloys, Te2Ru distinguishes itself through its specific semiconducting behavior compared to more metallic counterparts like LaRh or BaPd. While compounds such as As2Ir or As2Pt often exhibit different coordination environments, Te2Ru maintains a stable, well-defined structural profile that is highly represented in crystallographic literature.
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)
- 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)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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