Cr2Ge2O6

Cr2Ge2O6 is a semiconducting oxide material that exists as a metastable phase within the broader family of spinel-related catalytic compounds.

Crystal structure of Cr2Ge2O6 (triclinic, P-1 (No. 2))
Ground-state structure · Materials Project
Overview

About Cr2Ge2O6

Cr2Ge2O6 is a complex oxide belonging to the spinel-related class of materials. As a semiconducting compound, it possesses electronic properties that are of interest for specialized catalytic research and potential solid-state applications. Its structural complexity is highlighted by multiple reported configurations within crystallographic databases.

Despite its interesting electronic profile, the compound is characterized as being thermodynamically above the hull, suggesting it is a metastable phase. This metastability often makes it a subject of interest for synthesis studies aimed at stabilizing specific oxide architectures for advanced chemical processing.

At a glance

Key Properties

Cross-validated computational properties for Cr2Ge2O6, aggregated across 2 databases.

Band Gap

0.67–0.79 eV
Range across DFT structures

Energy Above Hull

0.148 eV/atom
Best (lowest) across sources

Stability

Above hull
1 DFT source

Structures

14
2 databases, 9 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for Cr2Ge2O6, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
P-1 (No. 2)triclinic0.700.1477-7.3714.46
C2/c (No. 15)monoclinic0.670.1554-7.3634.52
P21/c (No. 14)monoclinic0.790.1627-7.3564.34
Pm-3m (No. 221)cubic0.000.6066-7.3715.46
Fmmm (No. 69)
R3c (No. 161)
R-3c (No. 167)
R-3 (No. 148)
R-3c (No. 167)
R3c (No. 161)
R3c (No. 161)
R-3 (No. 148)
Uses

Applications

Where Cr2Ge2O6 is used.

Catalytic researchSolid-state chemistry studiesAdvanced materials synthesis
Reference

Frequently Asked Questions

Common questions about Cr2Ge2O6, answered from cross-validated data.

What is Cr2Ge2O6?

Cr2Ge2O6 is a semiconducting oxide material that exists as a metastable phase within the broader family of spinel-related catalytic compounds.

More questions
What is Cr2Ge2O6 used for?
Cr2Ge2O6 is used in catalytic research, solid-state chemistry studies, and advanced materials synthesis.
What is the band gap of Cr2Ge2O6?
Cr2Ge2O6 has a DFT-computed band gap of 0.67–0.79 eV across 14 reported structures.
Is Cr2Ge2O6 a metal, semiconductor, or insulator?
With a band gap up to 0.79 eV it is a semiconductor.
Is Cr2Ge2O6 thermodynamically stable?
Cr2Ge2O6 has a lowest energy above hull of 0.148 eV/atom (above hull).
What is the crystal structure of Cr2Ge2O6?
The lowest-energy reported polymorph of Cr2Ge2O6 is triclinic symmetry, space group P-1 (No. 2).
What is the density of Cr2Ge2O6?
The computed density of the ground-state structure of Cr2Ge2O6 is 4.46 g/cm³.
How many polymorphs of Cr2Ge2O6 are known?
14 structures of Cr2Ge2O6 are reported across 2 databases, spanning 9 distinct space groups.
What elements does Cr2Ge2O6 contain?
Cr2Ge2O6 contains Cr, Ge, and O (3 elements).
Where does the data for Cr2Ge2O6 come from?
Cr2Ge2O6 data is cross-referenced from materials_project, aflow.
Comparison

How It Compares

Within the spinel oxide catalysts class.

Within the broader family of spinel oxide catalysts and related oxides, Cr2Ge2O6 occupies a distinct niche compared to more common, highly stable oxides like MgAl2O4 or simple binary oxides such as ZnO and NiO. While materials like LaMnO3 or LaNiO3 are frequently utilized for their robust perovskite-based catalytic activity, Cr2Ge2O6 represents a more exotic, less conventional composition that challenges standard synthesis pathways due to its relative thermodynamic instability.

Explore

Related Compounds

Other Spinel Oxide 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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