Ge3Ru2

Ge3Ru2 is a stable, semiconducting intermetallic compound composed of germanium and ruthenium that is utilized in advanced catalytic materials research.

Crystal structure of Ge3Ru2 (orthorhombic, Pbcn (No. 60))
Ground-state structure · Materials Project
Overview

About Ge3Ru2

Ge3Ru2 is a distinct semiconducting intermetallic compound within the platinum-group alloy family. As a thermodynamically stable phase residing on the convex hull, it represents a robust structural arrangement of germanium and ruthenium atoms that has garnered significant interest across multiple materials databases. Its electronic character sets it apart from typical metallic alloys, offering unique pathways for charge carrier manipulation in catalytic environments. The compound is primarily studied for its potential in specialized chemical transformations where stable, non-metallic electronic behavior is advantageous. Its presence across numerous reported structures underscores its reliability as a subject for fundamental condensed matter research and its utility in exploring complex metal-metalloid bonding motifs.

At a glance

Key Properties

Cross-validated computational properties for Ge3Ru2, aggregated across 4 databases.

Band Gap

0.38 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
3 DFT sources

Structures

19
4 databases, 11 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for Ge3Ru2, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
Pbcn (No. 60)orthorhombic0.380.0000-18.8269.18
P-4c2 (No. 116)tetragonal0.340.0062-18.8209.13
P-1 (No. 2)Triclinic9.44
P-4c2 (No. 116)
C2 (No. 5)Monoclinic8.05
C2 (No. 5)Monoclinic6.51
C2 (No. 5)Monoclinic9.19
Cm (No. 8)Monoclinic5.80
P1 (No. 1)Triclinic5.73
P3m1 (No. 156)Trigonal5.68
R-3m (No. 166)
P-1 (No. 2)Triclinic9.13
Uses

Applications

Where Ge3Ru2 is used.

catalysis researchsemiconductor materials developmentintermetallic phase studies
Reference

Frequently Asked Questions

Common questions about Ge3Ru2, answered from cross-validated data.

What is Ge3Ru2?

Ge3Ru2 is a stable, semiconducting intermetallic compound composed of germanium and ruthenium that is utilized in advanced catalytic materials research.

More questions
What is Ge3Ru2 used for?
Ge3Ru2 is used in catalysis research, semiconductor materials development, and intermetallic phase studies.
What is the band gap of Ge3Ru2?
Ge3Ru2 has a DFT-computed band gap of 0.38 eV across 19 reported structures.
Is Ge3Ru2 a metal, semiconductor, or insulator?
With a band gap up to 0.38 eV it is a semiconductor.
Is Ge3Ru2 thermodynamically stable?
Yes — Ge3Ru2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Ge3Ru2?
The lowest-energy reported polymorph of Ge3Ru2 is orthorhombic symmetry, space group Pbcn (No. 60).
What is the density of Ge3Ru2?
The computed density of the ground-state structure of Ge3Ru2 is 9.18 g/cm³.
How many polymorphs of Ge3Ru2 are known?
19 structures of Ge3Ru2 are reported across 4 databases, spanning 11 distinct space groups.
What elements does Ge3Ru2 contain?
Ge3Ru2 contains Ge and Ru (2 elements).
Where does the data for Ge3Ru2 come from?
Ge3Ru2 data is cross-referenced from materials_project, mpaloe, jarvis, aflow.
Comparison

How It Compares

Within the platinum-group alloy catalysts class.

Within the broader class of platinum-group alloys, Ge3Ru2 occupies a niche defined by its semiconducting nature, distinguishing it from more conventional metallic siblings like LaRh or BaPd. While compounds such as GeRu represent simpler stoichiometric ratios within the same binary system, Ge3Ru2 offers a more complex structural framework that provides researchers with a broader range of tunable electronic properties for catalytic applications.

Explore

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

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