Ge4Pt4Se4

Ge4Pt4Se4 is a thermodynamically stable, semiconducting platinum-group alloy used in advanced catalytic research and materials science.

Crystal structure of Ge4Pt4Se4 (orthorhombic, Pca21 (No. 29))
Ground-state structure · Materials Project
Overview

About Ge4Pt4Se4

Ge4Pt4Se4 is a semiconducting member of the platinum-group alloy catalyst class, characterized by its position on the thermodynamic convex hull. This stability ensures that the material maintains its structural integrity under various conditions, making it a robust candidate for specialized catalytic applications.

As a compound featuring germanium, platinum, and selenium, it benefits from the unique electronic properties inherent to its composition. Its semiconducting nature allows for precise tuning of charge carrier behavior, which is essential for developing high-performance catalysts in modern chemical and energy sectors.

At a glance

Key Properties

Cross-validated computational properties for Ge4Pt4Se4, aggregated across 4 databases.

Band Gap

0.66 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

6
4 databases, 2 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for Ge4Pt4Se4, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
Pca21 (No. 29)orthorhombic0.660.0000-5.43810.33
Pca21 (No. 29)
Pca21 (No. 29)
Pca21 (No. 29)
8.11
No. 0unknown2.63
Uses

Applications

Where Ge4Pt4Se4 is used.

CatalysisSemiconductor researchMaterials science development
Reference

Frequently Asked Questions

Common questions about Ge4Pt4Se4, answered from cross-validated data.

What is Ge4Pt4Se4?

Ge4Pt4Se4 is a thermodynamically stable, semiconducting platinum-group alloy used in advanced catalytic research and materials science.

More questions
What is Ge4Pt4Se4 used for?
Ge4Pt4Se4 is used in catalysis, semiconductor research, and materials science development.
What is the band gap of Ge4Pt4Se4?
Ge4Pt4Se4 has a DFT-computed band gap of 0.66 eV across 6 reported structures.
Is Ge4Pt4Se4 a metal, semiconductor, or insulator?
With a band gap up to 0.66 eV it is a semiconductor.
Is Ge4Pt4Se4 thermodynamically stable?
Yes — Ge4Pt4Se4 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Ge4Pt4Se4?
The lowest-energy reported polymorph of Ge4Pt4Se4 is orthorhombic symmetry, space group Pca21 (No. 29).
What is the density of Ge4Pt4Se4?
The computed density of the ground-state structure of Ge4Pt4Se4 is 10.33 g/cm³.
How many polymorphs of Ge4Pt4Se4 are known?
6 structures of Ge4Pt4Se4 are reported across 4 databases, spanning 2 distinct space groups.
What elements does Ge4Pt4Se4 contain?
Ge4Pt4Se4 contains Ge, Pt, and Se (3 elements).
Where does the data for Ge4Pt4Se4 come from?
Ge4Pt4Se4 data is cross-referenced from materials_project, aflow, omat24, cod.
Comparison

How It Compares

Within the platinum-group alloy catalysts class.

Within the diverse landscape of platinum-group alloys, Ge4Pt4Se4 distinguishes itself through its specific semiconducting electronic character. While siblings like GeRu and IrSe2 share similar elemental constituents or structural motifs, Ge4Pt4Se4 occupies a unique niche due to its confirmed thermodynamic stability, positioning it as a reliable reference point for researchers comparing the performance of ternary platinum-group compounds.

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).
  • aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
  • omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
  • cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).

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