Ca2Mg2Zn4

Ca2Mg2Zn4 is a semimetallic ternary intermetallic compound that exhibits high structural complexity and thermodynamic metastability.

CaMgZn
Crystal structure of Ca2Mg2Zn4
Ground-state structure · Materials Project
Overview

About Ca2Mg2Zn4

Ca2Mg2Zn4 is a multicomponent intermetallic compound composed of calcium, magnesium, and zinc. Its electronic structure exhibits semimetallic behavior, placing it in a unique regime where metallic and semiconducting properties converge. The material is notable for its significant structural complexity, as evidenced by the large number of reported configurations across various databases. Because it resides above the thermodynamic hull, it is considered a metastable phase that requires specific synthesis conditions to stabilize.

At a glance

Key Properties

Cross-validated computational properties for Ca2Mg2Zn4, aggregated across 3 databases.

Band Gap

0.08 eV
Range across DFT structures

Energy Above Hull

1.447 eV/atom
Best (lowest) across sources

Stability

Above hull
2 DFT sources

Structures

40
3 databases, 7 space groups
Uses

Applications

Where Ca2Mg2Zn4 is used.

Fundamental materials researchAlloy design studiesSolid-state chemistry exploration
Reference

Frequently Asked Questions

Common questions about Ca2Mg2Zn4, answered from cross-validated data.

What is Ca2Mg2Zn4?

Ca2Mg2Zn4 is a semimetallic ternary intermetallic compound that exhibits high structural complexity and thermodynamic metastability.

More questions
What is Ca2Mg2Zn4 used for?
Ca2Mg2Zn4 is used in fundamental materials research, alloy design studies, and solid-state chemistry exploration.
What is the band gap of Ca2Mg2Zn4?
Ca2Mg2Zn4 has a DFT-computed band gap of 0.08 eV across 40 reported structures.
Is Ca2Mg2Zn4 a metal, semiconductor, or insulator?
With a near-zero band gap it behaves as a (semi)metal.
Is Ca2Mg2Zn4 thermodynamically stable?
Ca2Mg2Zn4 has a lowest energy above hull of 1.447 eV/atom (above hull).
How many polymorphs of Ca2Mg2Zn4 are known?
40 structures of Ca2Mg2Zn4 are reported across 3 databases, spanning 7 distinct space groups.
What elements does Ca2Mg2Zn4 contain?
Ca2Mg2Zn4 contains Ca, Mg, and Zn (3 elements).
Where does the data for Ca2Mg2Zn4 come from?
Ca2Mg2Zn4 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a member of the ternary calcium-magnesium-zinc system, this compound represents a specialized structural arrangement within a broader class of complex intermetallic phases. Unlike more stable, stoichiometric alloys, its position above the thermodynamic hull suggests it is a kinetically trapped or high-pressure phase that offers researchers a unique window into the structural diversity of zinc-rich ternary systems.

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

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