Ca2Li1Pt1

Ca2Li1Pt1 is a semiconducting ternary alloy composed of calcium, lithium, and platinum that is currently studied for its unique structural properties as a metastable catalyst.

Crystal structure of Ca2Li1Pt1
Ground-state structure · Materials Project
Overview

About Ca2Li1Pt1

Ca2Li1Pt1 is a complex ternary alloy featuring calcium, lithium, and platinum. As a semiconducting member of the platinum-group alloy catalyst family, it represents a unique intersection of alkaline earth metals and noble transition metals. Its electronic properties suggest potential utility in specialized catalytic processes where specific charge transport characteristics are required. Despite its structural diversity, with numerous reported configurations, the compound is characterized as being above the thermodynamic hull. This indicates that it exists in a metastable state, requiring precise synthesis conditions to stabilize its crystalline framework for research and development.

At a glance

Key Properties

Cross-validated computational properties for Ca2Li1Pt1, aggregated across 2 databases.

Band Gap

0.79 eV
Range across DFT structures

Energy Above Hull

1.530 eV/atom
Best (lowest) across sources

Stability

Above hull
1 DFT source

Structures

26
2 databases, 14 space groups
Uses

Applications

Where Ca2Li1Pt1 is used.

Catalysis researchIntermetallic materials scienceSemiconductor development
Reference

Frequently Asked Questions

Common questions about Ca2Li1Pt1, answered from cross-validated data.

What is Ca2Li1Pt1?

Ca2Li1Pt1 is a semiconducting ternary alloy composed of calcium, lithium, and platinum that is currently studied for its unique structural properties as a metastable catalyst.

More questions
What is Ca2Li1Pt1 used for?
Ca2Li1Pt1 is used in catalysis research, intermetallic materials science, and semiconductor development.
What is the band gap of Ca2Li1Pt1?
Ca2Li1Pt1 has a DFT-computed band gap of 0.79 eV across 26 reported structures.
Is Ca2Li1Pt1 a metal, semiconductor, or insulator?
With a band gap up to 0.79 eV it is a semiconductor.
Is Ca2Li1Pt1 thermodynamically stable?
Ca2Li1Pt1 has a lowest energy above hull of 1.530 eV/atom (above hull).
How many polymorphs of Ca2Li1Pt1 are known?
26 structures of Ca2Li1Pt1 are reported across 2 databases, spanning 14 distinct space groups.
What elements does Ca2Li1Pt1 contain?
Ca2Li1Pt1 contains Ca, Li, and Pt (3 elements).
Where does the data for Ca2Li1Pt1 come from?
Ca2Li1Pt1 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the platinum-group alloy catalysts class.

Within the broader class of platinum-group alloy catalysts, Ca2Li1Pt1 is distinct due to its inclusion of highly reactive light elements like lithium and calcium, which contrasts with the more traditional transition-metal-heavy compositions seen in siblings like P3Ru or As2Pt. While many class members are known for robust stability, this compound occupies a more precarious thermodynamic position, making it a subject of interest for fundamental studies on metastable phase formation in intermetallic systems.

Explore

Related Compounds

Other Platinum-Group Alloy Catalysts in the database.

Data sources & attribution
  • latticegraph — Lattice Graph Materials Intelligence Platform

Analyze Ca2Li1Pt1 in the Lattice Graph platform

Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.

Explore the Platform →