Hg1P2Si1

Hg1P2Si1 is a metastable semiconducting compound composed of mercury, phosphorus, and silicon.

HgPSi
Crystal structure of Hg1P2Si1
Ground-state structure · Materials Project
Overview

About Hg1P2Si1

Hg1P2Si1 is a complex ternary compound composed of mercury, phosphorus, and silicon. As a semiconducting material, it exhibits electronic characteristics that make it a subject of interest for researchers investigating specialized solid-state systems.

Despite its metastable nature, the compound has been documented across multiple structural configurations. Its existence highlights the intricate bonding possibilities between group twelve, fifteen, and fourteen elements, providing a unique case study for structural phase stability.

At a glance

Key Properties

Cross-validated computational properties for Hg1P2Si1, aggregated across 2 databases.

Band Gap

1.02 eV
Range across DFT structures

Energy Above Hull

0.042 eV/atom
Best (lowest) across sources

Stability

Metastable
1 DFT source

Structures

28
2 databases, 19 space groups
Reference

Frequently Asked Questions

Common questions about Hg1P2Si1, answered from cross-validated data.

What is Hg1P2Si1?

Hg1P2Si1 is a metastable semiconducting compound composed of mercury, phosphorus, and silicon.

More questions
What is the band gap of Hg1P2Si1?
Hg1P2Si1 has a DFT-computed band gap of 1.02 eV across 28 reported structures.
Is Hg1P2Si1 a metal, semiconductor, or insulator?
With a band gap up to 1.02 eV it is a semiconductor.
Is Hg1P2Si1 thermodynamically stable?
Hg1P2Si1 has a lowest energy above hull of 0.042 eV/atom (metastable).
How many polymorphs of Hg1P2Si1 are known?
28 structures of Hg1P2Si1 are reported across 2 databases, spanning 19 distinct space groups.
What elements does Hg1P2Si1 contain?
Hg1P2Si1 contains Hg, P, and Si (3 elements).
Where does the data for Hg1P2Si1 come from?
Hg1P2Si1 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a singular entry in this specific compositional space, Hg1P2Si1 serves as a foundational reference point for understanding the interplay of mercury, phosphorus, and silicon. It represents a distinct structural arrangement that challenges conventional stability expectations within this ternary system.

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

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