P2Se6Tl4

P2Se6Tl4 is a stable, semiconducting inorganic compound composed of phosphorus, selenium, and thallium.

PSeTl
Crystal structure of P2Se6Tl4
Ground-state structure · Materials Project
Overview

About P2Se6Tl4

P2Se6Tl4 is a complex chalcogenide compound characterized by its semiconducting electronic nature. As a thermodynamically stable phase located on the convex hull, it represents a robust crystalline arrangement that is of significant interest for fundamental materials science studies.

Its structural integrity is supported by multiple reported entries across major materials databases, highlighting its reliability as a subject for experimental investigation. This stability makes it a compelling candidate for exploring the intersection of phosphorus and thallium chemistry in solid-state systems.

At a glance

Key Properties

Cross-validated computational properties for P2Se6Tl4, aggregated across 3 databases.

Band Gap

1.58 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

4
3 databases, 2 space groups
Uses

Applications

Where P2Se6Tl4 is used.

Solid-state electronics researchSemiconductor materials developmentCrystallographic studies
Reference

Frequently Asked Questions

Common questions about P2Se6Tl4, answered from cross-validated data.

What is P2Se6Tl4?

P2Se6Tl4 is a stable, semiconducting inorganic compound composed of phosphorus, selenium, and thallium.

More questions
What is P2Se6Tl4 used for?
P2Se6Tl4 is used in solid-state electronics research, semiconductor materials development, and crystallographic studies.
What is the band gap of P2Se6Tl4?
P2Se6Tl4 has a DFT-computed band gap of 1.58 eV across 4 reported structures.
Is P2Se6Tl4 a metal, semiconductor, or insulator?
With a band gap up to 1.58 eV it is a semiconductor.
Is P2Se6Tl4 thermodynamically stable?
Yes — P2Se6Tl4 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of P2Se6Tl4 are known?
4 structures of P2Se6Tl4 are reported across 3 databases, spanning 2 distinct space groups.
What elements does P2Se6Tl4 contain?
P2Se6Tl4 contains P, Se, and Tl (3 elements).
Where does the data for P2Se6Tl4 come from?
P2Se6Tl4 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a distinct member of the phosphorus-selenium-thallium system, P2Se6Tl4 occupies a unique position due to its inherent thermodynamic stability, which differentiates it from metastable phases that often require specialized synthesis conditions to stabilize.

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

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