Hg2Na1Sb1

Hg2Na1Sb1 is a semiconducting ternary compound characterized by its structural diversity and thermodynamic instability.

HgNaSb
Crystal structure of Hg2Na1Sb1 (orthorhombic, Immm (No. 71))
Ground-state structure · Materials Project
Overview

About Hg2Na1Sb1

Hg2Na1Sb1 is a complex ternary compound composed of mercury, sodium, and antimony. As a semiconducting material, it exhibits electronic properties that distinguish it from simple metallic alloys, positioning it as a subject of interest for fundamental solid-state research.

Despite its status as a thermodynamically unstable phase located above the hull, this material has been documented across numerous structural configurations. This structural diversity suggests a complex energy landscape that continues to challenge current understanding of mercury-based intermetallic systems.

At a glance

Key Properties

Cross-validated computational properties for Hg2Na1Sb1, aggregated across 2 databases.

Band Gap

0.18 eV
Range across DFT structures

Energy Above Hull

0.735 eV/atom
Best (lowest) across sources

Stability

Above hull
1 DFT source

Structures

26
2 databases, 17 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for Hg2Na1Sb1, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
Immm (No. 71)orthorhombic0.180.7346-31.4910.70
Cmmm (No. 65)
I4/mmm (No. 139)
Pmmm (No. 47)
P4/mmm (No. 123)
P4mm (No. 99)
Cmmm (No. 65)
C2/m (No. 12)
C2/m (No. 12)
Immm (No. 71)
P2/m (No. 10)
Pmm2 (No. 25)
Reference

Frequently Asked Questions

Common questions about Hg2Na1Sb1, answered from cross-validated data.

What is Hg2Na1Sb1?

Hg2Na1Sb1 is a semiconducting ternary compound characterized by its structural diversity and thermodynamic instability.

More questions
What is the band gap of Hg2Na1Sb1?
Hg2Na1Sb1 has a DFT-computed band gap of 0.18 eV across 26 reported structures.
Is Hg2Na1Sb1 a metal, semiconductor, or insulator?
With a band gap up to 0.18 eV it is a semiconductor.
Is Hg2Na1Sb1 thermodynamically stable?
Hg2Na1Sb1 has a lowest energy above hull of 0.735 eV/atom (above hull).
What is the crystal structure of Hg2Na1Sb1?
The lowest-energy reported polymorph of Hg2Na1Sb1 is orthorhombic symmetry, space group Immm (No. 71).
What is the density of Hg2Na1Sb1?
The computed density of the ground-state structure of Hg2Na1Sb1 is 0.70 g/cm³.
How many polymorphs of Hg2Na1Sb1 are known?
26 structures of Hg2Na1Sb1 are reported across 2 databases, spanning 17 distinct space groups.
What elements does Hg2Na1Sb1 contain?
Hg2Na1Sb1 contains Hg, Na, and Sb (3 elements).
Where does the data for Hg2Na1Sb1 come from?
Hg2Na1Sb1 data is cross-referenced from materials_project, aflow.
Comparison

How It Compares

As a unique ternary phase, Hg2Na1Sb1 represents a specialized case within the broader landscape of mercury-sodium-antimony intermetallics. Without direct structural siblings in this specific class, it serves as a distinct example of how mercury-rich systems can adopt semiconducting characteristics despite the inherent challenges to thermodynamic stability.

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).

Analyze Hg2Na1Sb1 in the Lattice Graph platform

Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.

Explore the Platform →