Ca1Pb2Y1

Ca1Pb2Y1 is a metastable ternary intermetallic compound characterized by semimetallic electronic properties and diverse structural arrangements.

CaPbY
Crystal structure of Ca1Pb2Y1
Ground-state structure · Materials Project
Overview

About Ca1Pb2Y1

Ca1Pb2Y1 is a ternary intermetallic compound composed of calcium, lead, and yttrium. It exhibits semimetallic electronic characteristics, suggesting a narrow range of charge carrier behavior that is typical of complex metallic alloys.

Due to its position above the thermodynamic hull, this material is considered metastable, which explains the significant number of reported structural configurations. Its complex composition makes it a subject of interest for researchers studying phase stability and structural polymorphism in multi-element metallic systems.

At a glance

Key Properties

Cross-validated computational properties for Ca1Pb2Y1, aggregated across 2 databases.

Band Gap

0.05 eV
Range across DFT structures

Energy Above Hull

2.002 eV/atom
Best (lowest) across sources

Stability

Above hull
1 DFT source

Structures

26
2 databases, 16 space groups
Reference

Frequently Asked Questions

Common questions about Ca1Pb2Y1, answered from cross-validated data.

What is Ca1Pb2Y1?

Ca1Pb2Y1 is a metastable ternary intermetallic compound characterized by semimetallic electronic properties and diverse structural arrangements.

More questions
What is the band gap of Ca1Pb2Y1?
Ca1Pb2Y1 has a DFT-computed band gap of 0.05 eV across 26 reported structures.
Is Ca1Pb2Y1 a metal, semiconductor, or insulator?
With a near-zero band gap it behaves as a (semi)metal.
Is Ca1Pb2Y1 thermodynamically stable?
Ca1Pb2Y1 has a lowest energy above hull of 2.002 eV/atom (above hull).
How many polymorphs of Ca1Pb2Y1 are known?
26 structures of Ca1Pb2Y1 are reported across 2 databases, spanning 16 distinct space groups.
What elements does Ca1Pb2Y1 contain?
Ca1Pb2Y1 contains Ca, Pb, and Y (3 elements).
Where does the data for Ca1Pb2Y1 come from?
Ca1Pb2Y1 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique ternary phase, Ca1Pb2Y1 occupies a specialized niche within intermetallic systems, where its structural complexity and metastable nature distinguish it from more common, highly stable binary alloys.

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

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