Hg2Sn1Sr1

Hg2Sn1Sr1 is a semiconducting ternary compound of mercury, tin, and strontium that exists in a metastable state.

HgSnSr
Crystal structure of Hg2Sn1Sr1 (orthorhombic, Immm (No. 71))
Ground-state structure · Materials Project
Overview

About Hg2Sn1Sr1

Hg2Sn1Sr1 is a ternary compound composed of mercury, tin, and strontium. It exhibits semiconducting electronic properties, positioning it within a class of materials often investigated for potential optoelectronic or specialized electronic applications.

Despite its structural diversity, with numerous reported configurations across databases, this compound is characterized as being above the thermodynamic hull. This indicates that it is likely metastable under standard conditions, requiring specific synthesis pathways to stabilize its crystalline arrangement.

At a glance

Key Properties

Cross-validated computational properties for Hg2Sn1Sr1, aggregated across 2 databases.

Band Gap

0.20 eV
Range across DFT structures

Energy Above Hull

1.288 eV/atom
Best (lowest) across sources

Stability

Above hull
1 DFT source

Structures

26
2 databases, 15 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for Hg2Sn1Sr1, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
Immm (No. 71)orthorhombic0.201.2881-0.7100.68
P4/mmm (No. 123)
Fm-3m (No. 225)
Fm-3m (No. 225)
P4/mmm (No. 123)
P4mm (No. 99)
P4/mmm (No. 123)
C2/m (No. 12)
P4mm (No. 99)
P4/mmm (No. 123)
P4mm (No. 99)
R-3m (No. 166)
Reference

Frequently Asked Questions

Common questions about Hg2Sn1Sr1, answered from cross-validated data.

What is Hg2Sn1Sr1?

Hg2Sn1Sr1 is a semiconducting ternary compound of mercury, tin, and strontium that exists in a metastable state.

More questions
What is the band gap of Hg2Sn1Sr1?
Hg2Sn1Sr1 has a DFT-computed band gap of 0.20 eV across 26 reported structures.
Is Hg2Sn1Sr1 a metal, semiconductor, or insulator?
With a band gap up to 0.20 eV it is a semiconductor.
Is Hg2Sn1Sr1 thermodynamically stable?
Hg2Sn1Sr1 has a lowest energy above hull of 1.288 eV/atom (above hull).
What is the crystal structure of Hg2Sn1Sr1?
The lowest-energy reported polymorph of Hg2Sn1Sr1 is orthorhombic symmetry, space group Immm (No. 71).
What is the density of Hg2Sn1Sr1?
The computed density of the ground-state structure of Hg2Sn1Sr1 is 0.68 g/cm³.
How many polymorphs of Hg2Sn1Sr1 are known?
26 structures of Hg2Sn1Sr1 are reported across 2 databases, spanning 15 distinct space groups.
What elements does Hg2Sn1Sr1 contain?
Hg2Sn1Sr1 contains Hg, Sn, and Sr (3 elements).
Where does the data for Hg2Sn1Sr1 come from?
Hg2Sn1Sr1 data is cross-referenced from materials_project, aflow.
Comparison

How It Compares

As a unique ternary intermetallic phase, Hg2Sn1Sr1 represents a complex structural arrangement of heavy metal and alkaline earth components. Without direct structural siblings in its immediate class, it serves as an intriguing case study for the interplay between mercury-based bonding and structural instability in complex ternary systems.

Data sources & attribution
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).

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