Ca1Mg2Sr1

Ca1Mg2Sr1 is an unstable, semimetallic intermetallic compound composed of calcium, magnesium, and strontium.

CaMgSr
Crystal structure of Ca1Mg2Sr1
Ground-state structure · Materials Project
Overview

About Ca1Mg2Sr1

Ca1Mg2Sr1 is a complex intermetallic compound composed of calcium, magnesium, and strontium. It exhibits a near-zero-gap electronic structure, placing it in the category of semimetallic materials that often demonstrate unique charge carrier dynamics.

Due to its position above the thermodynamic hull, this compound is considered metastable or unstable under standard conditions. Its structural diversity is highlighted by a significant number of reported configurations within material databases, reflecting the intricate bonding environment created by its constituent alkaline earth metals.

At a glance

Key Properties

Cross-validated computational properties for Ca1Mg2Sr1, aggregated across 2 databases.

Band Gap

0.05 eV
Range across DFT structures

Energy Above Hull

1.597 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 Ca1Mg2Sr1, answered from cross-validated data.

What is Ca1Mg2Sr1?

Ca1Mg2Sr1 is an unstable, semimetallic intermetallic compound composed of calcium, magnesium, and strontium.

More questions
What is the band gap of Ca1Mg2Sr1?
Ca1Mg2Sr1 has a DFT-computed band gap of 0.05 eV across 26 reported structures.
Is Ca1Mg2Sr1 a metal, semiconductor, or insulator?
With a near-zero band gap it behaves as a (semi)metal.
Is Ca1Mg2Sr1 thermodynamically stable?
Ca1Mg2Sr1 has a lowest energy above hull of 1.597 eV/atom (above hull).
How many polymorphs of Ca1Mg2Sr1 are known?
26 structures of Ca1Mg2Sr1 are reported across 2 databases, spanning 16 distinct space groups.
What elements does Ca1Mg2Sr1 contain?
Ca1Mg2Sr1 contains Ca, Mg, and Sr (3 elements).
Where does the data for Ca1Mg2Sr1 come from?
Ca1Mg2Sr1 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique intermetallic phase containing three distinct alkaline earth metals, Ca1Mg2Sr1 represents a specialized case within its class. Unlike more stable binary or ternary alloys, its tendency to exist above the thermodynamic hull suggests a highly sensitive structural state that requires specific synthesis conditions to stabilize.

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

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