Ga1Pt2Y1

Ga1Pt2Y1 is a semiconducting ternary alloy composed of gallium, platinum, and yttrium that exhibits complex structural behavior.

Crystal structure of Ga1Pt2Y1 (orthorhombic, Immm (No. 71))
Ground-state structure · Materials Project
Overview

About Ga1Pt2Y1

Ga1Pt2Y1 is a ternary intermetallic compound categorized within the platinum-group alloy catalysts. Characterized by its semiconducting electronic nature, this material represents a unique intersection of rare-earth and transition metal chemistry that is of significant interest for fundamental materials research.

While this compound is currently identified as being above the thermodynamic hull, its structural diversity is highlighted by numerous reported configurations in crystallographic databases. These findings suggest a complex energy landscape that warrants further investigation into its potential for specialized catalytic or electronic applications.

At a glance

Key Properties

Cross-validated computational properties for Ga1Pt2Y1, aggregated across 3 databases.

Band Gap

0.28 eV
Range across DFT structures

Energy Above Hull

2.208 eV/atom
Best (lowest) across sources

Stability

Above hull
1 DFT source

Structures

27
3 databases, 16 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for Ga1Pt2Y1, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
Immm (No. 71)orthorhombic0.282.2085-4.1800.92
Pm (No. 6)
P4/mmm (No. 123)
I-4m2 (No. 119)
P4/mmm (No. 123)
P4mm (No. 99)
P4/mmm (No. 123)
P4/mmm (No. 123)
Cmmm (No. 65)
P4/mmm (No. 123)
P2/m (No. 10)
Fm-3m (No. 225)
Uses

Applications

Where Ga1Pt2Y1 is used.

Fundamental materials researchCatalytic studies
Reference

Frequently Asked Questions

Common questions about Ga1Pt2Y1, answered from cross-validated data.

What is Ga1Pt2Y1?

Ga1Pt2Y1 is a semiconducting ternary alloy composed of gallium, platinum, and yttrium that exhibits complex structural behavior.

More questions
What is Ga1Pt2Y1 used for?
Ga1Pt2Y1 is used in fundamental materials research and catalytic studies.
What is the band gap of Ga1Pt2Y1?
Ga1Pt2Y1 has a DFT-computed band gap of 0.28 eV across 27 reported structures.
Is Ga1Pt2Y1 a metal, semiconductor, or insulator?
With a band gap up to 0.28 eV it is a semiconductor.
Is Ga1Pt2Y1 thermodynamically stable?
Ga1Pt2Y1 has a lowest energy above hull of 2.208 eV/atom (above hull).
What is the crystal structure of Ga1Pt2Y1?
The lowest-energy reported polymorph of Ga1Pt2Y1 is orthorhombic symmetry, space group Immm (No. 71).
What is the density of Ga1Pt2Y1?
The computed density of the ground-state structure of Ga1Pt2Y1 is 0.92 g/cm³.
How many polymorphs of Ga1Pt2Y1 are known?
27 structures of Ga1Pt2Y1 are reported across 3 databases, spanning 16 distinct space groups.
What elements does Ga1Pt2Y1 contain?
Ga1Pt2Y1 contains Ga, Pt, and Y (3 elements).
Where does the data for Ga1Pt2Y1 come from?
Ga1Pt2Y1 data is cross-referenced from materials_project, aflow, cod.
Comparison

How It Compares

Within the platinum-group alloy catalysts class.

Unlike more stable or widely utilized members of the platinum-group alloy family such as As2Pt or Ga2Ru, Ga1Pt2Y1 exists in a metastable state that distinguishes it from the more robust, commercially established catalysts in this group.

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).
  • cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).

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