In3Ru
In3Ru is a thermodynamically stable, semiconducting intermetallic compound composed of indium and ruthenium that is studied for its catalytic and electronic potential.
About In3Ru
In3Ru is a distinct intermetallic compound belonging to the platinum-group alloy catalyst family. Characterized by its semiconducting electronic nature, this material resides on the convex hull, indicating high thermodynamic stability under standard conditions. Its structural complexity is highlighted by its extensive representation across multiple crystallographic databases, reflecting significant interest in its atomic arrangement.
This compound plays a specialized role in materials science research, particularly where stable, semiconducting alloys are required for catalytic or electronic applications. Its ability to maintain a stable phase while offering unique electronic properties makes it a subject of study for those investigating the fundamental behavior of ruthenium-based intermetallics.
Key Properties
Cross-validated computational properties for In3Ru, 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 In3Ru. 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 In3Ru, 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. |
|---|---|---|---|---|---|
| — | — | 0.44 | 0.0000 | -0.161 | — |
| P42/mnm (No. 136) | tetragonal | 0.36 | 0.0000 | -0.122 | — |
| P42/mnm (No. 136) | tetragonal | 0.23 | 0.0000 | -23.526 | 8.19 |
| P-4n2 (No. 118) | tetragonal | 0.21 | 0.0003 | -23.526 | 8.00 |
| — | — | 0.44 | 0.0004 | -0.160 | — |
| P42/mnm (No. 136) | tetragonal | 0.36 | 0.0070 | -0.115 | — |
| — | — | 0.00 | 0.3603 | 0.200 | — |
| — | — | 0.00 | 0.3788 | 0.218 | — |
| — | — | 0.00 | 0.4435 | 0.283 | — |
| — | — | 0.00 | 0.5537 | 0.393 | — |
| P1 (No. 1) | triclinic | — | — | — | 5.74 |
| C2 (No. 5) | monoclinic | — | — | — | 6.97 |
Applications
Where In3Ru is used.
Frequently Asked Questions
Common questions about In3Ru, answered from cross-validated data.
What is In3Ru?
In3Ru is a thermodynamically stable, semiconducting intermetallic compound composed of indium and ruthenium that is studied for its catalytic and electronic potential.
What is In3Ru used for?
What is the band gap of In3Ru?
Is In3Ru a metal, semiconductor, or insulator?
Is In3Ru thermodynamically stable?
What is the crystal structure of In3Ru?
How many polymorphs of In3Ru are known?
What elements does In3Ru contain?
Where does the data for In3Ru come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the diverse landscape of platinum-group alloy catalysts, In3Ru distinguishes itself through its specific stoichiometry and semiconducting character. While siblings like Ga2Ru or GeRu often exhibit different structural motifs or electronic behaviors, In3Ru stands out as a robust, thermodynamically favored phase that provides a unique alternative to more common transition metal-based catalysts.
Related Compounds
Other Platinum-Group Alloy Catalysts in the database.
Data sources & attribution
- 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)
- 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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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