Os1Rh1Sc2

Os1Rh1Sc2 is a semiconducting ternary alloy composed of osmium, rhodium, and scandium that is being investigated for its potential in catalytic applications.

Crystal structure of Os1Rh1Sc2 (cubic, Fm-3m (No. 225))
Ground-state structure · Materials Project
Overview

About Os1Rh1Sc2

Os1Rh1Sc2 is a ternary intermetallic compound belonging to the platinum-group alloy catalyst class. Characterized by its semiconducting electronic nature, this material represents a unique combination of transition metals that bridges the gap between traditional metallic catalysts and functional semiconductors. Its structural versatility is highlighted by a significant number of reported configurations within material databases.

As a near-hull phase, Os1Rh1Sc2 is considered a promising candidate for experimental synthesis. Its potential utility lies in its ability to leverage the catalytic properties of osmium and rhodium while maintaining a stable, semiconducting framework, making it a subject of interest for researchers exploring new materials for specialized chemical transformations.

At a glance

Key Properties

Cross-validated computational properties for Os1Rh1Sc2, aggregated across 2 databases.

Band Gap

0.47 eV
Range across DFT structures

Energy Above Hull

0.003 eV/atom
Best (lowest) across sources

Stability

Near hull (likely stable)
1 DFT source

Structures

28
2 databases, 14 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for Os1Rh1Sc2, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
Fm-3m (No. 225)cubic0.000.0035-8.5149.61
Immm (No. 71)orthorhombic0.473.1445-5.3730.78
Cm (No. 8)
P4/mmm (No. 123)
Immm (No. 71)
Fm-3m (No. 225)
P4mm (No. 99)
Imm2 (No. 44)
P4/mmm (No. 123)
Pmm2 (No. 25)
F-43m (No. 216)
P4mm (No. 99)
Uses

Applications

Where Os1Rh1Sc2 is used.

CatalysisSemiconductor researchIntermetallic materials development
Reference

Frequently Asked Questions

Common questions about Os1Rh1Sc2, answered from cross-validated data.

What is Os1Rh1Sc2?

Os1Rh1Sc2 is a semiconducting ternary alloy composed of osmium, rhodium, and scandium that is being investigated for its potential in catalytic applications.

More questions
What is Os1Rh1Sc2 used for?
Os1Rh1Sc2 is used in catalysis, semiconductor research, and intermetallic materials development.
What is the band gap of Os1Rh1Sc2?
Os1Rh1Sc2 has a DFT-computed band gap of 0.47 eV across 28 reported structures.
Is Os1Rh1Sc2 a metal, semiconductor, or insulator?
With a band gap up to 0.47 eV it is a semiconductor.
Is Os1Rh1Sc2 thermodynamically stable?
Os1Rh1Sc2 has a lowest energy above hull of 0.003 eV/atom (near hull (likely stable)).
What is the crystal structure of Os1Rh1Sc2?
The lowest-energy reported polymorph of Os1Rh1Sc2 is cubic symmetry, space group Fm-3m (No. 225).
What is the density of Os1Rh1Sc2?
The computed density of the ground-state structure of Os1Rh1Sc2 is 9.61 g/cm³.
How many polymorphs of Os1Rh1Sc2 are known?
28 structures of Os1Rh1Sc2 are reported across 2 databases, spanning 14 distinct space groups.
What elements does Os1Rh1Sc2 contain?
Os1Rh1Sc2 contains Os, Rh, and Sc (3 elements).
Where does the data for Os1Rh1Sc2 come from?
Os1Rh1Sc2 data is cross-referenced from materials_project, aflow.
Comparison

How It Compares

Within the platinum-group alloy catalysts class.

Within the diverse landscape of platinum-group alloys, Os1Rh1Sc2 occupies a distinct niche compared to siblings like LaRh or As2Ir. While many members of this class exhibit metallic behavior, the semiconducting character of Os1Rh1Sc2 sets it apart, offering a different electronic environment for surface reactions compared to the more conventional metallic alloys in the group.

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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).
  • aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).

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