SrMgSi

SrMgSi is a thermodynamically stable semimetallic ternary compound composed of strontium, magnesium, and silicon.

MgSiSr
Crystal structure of SrMgSi (orthorhombic, Pnma (No. 62))
Ground-state structure · Materials Project
Overview

About SrMgSi

SrMgSi is a ternary intermetallic compound characterized by its thermodynamically stable nature, sitting firmly on the convex hull. Its electronic structure exhibits near-zero-gap behavior, positioning it as a semimetallic material of interest for fundamental solid-state research.

Given its status as a stable phase with multiple reported structural configurations, this compound serves as a significant subject for studies into ternary silicide systems. Its unique electronic character makes it a candidate for exploring metallic-to-semiconductor transitions in complex lattice environments.

At a glance

Key Properties

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

Band Gap

0.03 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

8
3 databases, 3 space groups
Crystallography

Reported Structures

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

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
Pnma (No. 62)orthorhombic0.030.0000-3.2753.06
F-43m (No. 216)cubic0.000.8722-2.4022.47
F-43m (No. 216)
Pnma (No. 62)Orthorhombic3.03
Pnma (No. 62)Orthorhombic3.06
P-6m2 (No. 187)
Pnma (No. 62)Orthorhombic3.06
Pnma (No. 62)
Uses

Applications

Where SrMgSi is used.

Solid-state electronic researchFundamental materials science studiesTernary alloy development
Reference

Frequently Asked Questions

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

What is SrMgSi?

SrMgSi is a thermodynamically stable semimetallic ternary compound composed of strontium, magnesium, and silicon.

More questions
What is SrMgSi used for?
SrMgSi is used in solid-state electronic research, fundamental materials science studies, and ternary alloy development.
What is the band gap of SrMgSi?
SrMgSi has a DFT-computed band gap of 0.03 eV across 8 reported structures.
Is SrMgSi a metal, semiconductor, or insulator?
With a near-zero band gap it behaves as a (semi)metal.
Is SrMgSi thermodynamically stable?
Yes — SrMgSi sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of SrMgSi?
The lowest-energy reported polymorph of SrMgSi is orthorhombic symmetry, space group Pnma (No. 62).
What is the density of SrMgSi?
The computed density of the ground-state structure of SrMgSi is 3.06 g/cm³.
How many polymorphs of SrMgSi are known?
8 structures of SrMgSi are reported across 3 databases, spanning 3 distinct space groups.
What elements does SrMgSi contain?
SrMgSi contains Mg, Si, and Sr (3 elements).
Where does the data for SrMgSi come from?
SrMgSi data is cross-referenced from materials_project, jarvis, mpaloe.
Comparison

How It Compares

As a stable ternary phase, SrMgSi represents a distinct structural arrangement within the broader landscape of alkaline-earth magnesium silicides. It occupies a unique niche where its electronic properties are defined by its specific atomic coordination, distinguishing it from simpler binary silicides.

Data sources & attribution
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
  • mpaloe — Data from mpaloe.

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