K12P4Se16

K12P4Se16 is a thermodynamically stable semiconducting compound containing potassium, phosphorus, and selenium.

KPSe
Crystal structure of K12P4Se16
Ground-state structure · Materials Project
Overview

About K12P4Se16

K12P4Se16 is a complex inorganic compound composed of potassium, phosphorus, and selenium. It is classified as a semiconducting material and is notable for being thermodynamically stable, occupying a position on the convex hull which suggests robust structural integrity under standard conditions. The material has been documented with multiple structural variations across major databases, highlighting its significance in solid-state chemistry research. Its electronic character makes it an interesting subject for studies focused on chalcogenide-based semiconductors and their potential for electronic or optoelectronic applications. As a stable phase, it provides a reliable platform for investigating the interplay between its constituent elements in complex crystalline environments.

At a glance

Key Properties

Cross-validated computational properties for K12P4Se16, aggregated across 3 databases.

Band Gap

1.69 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, 1 space group
Reference

Frequently Asked Questions

Common questions about K12P4Se16, answered from cross-validated data.

What is K12P4Se16?

K12P4Se16 is a thermodynamically stable semiconducting compound containing potassium, phosphorus, and selenium.

More questions
What is the band gap of K12P4Se16?
K12P4Se16 has a DFT-computed band gap of 1.69 eV across 4 reported structures.
Is K12P4Se16 a metal, semiconductor, or insulator?
With a band gap up to 1.69 eV it is a semiconductor.
Is K12P4Se16 thermodynamically stable?
Yes — K12P4Se16 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of K12P4Se16 are known?
4 structures of K12P4Se16 are reported across 3 databases, spanning 1 distinct space group.
What elements does K12P4Se16 contain?
K12P4Se16 contains K, P, and Se (3 elements).
Where does the data for K12P4Se16 come from?
K12P4Se16 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a thermodynamically stable semiconductor, K12P4Se16 serves as a representative example of how alkali metal chalcogenophosphates can form complex, ordered structures. While it currently stands as a unique entry in this specific compositional space, it exemplifies the structural diversity found in similar ternary and quaternary chalcogenide systems that are frequently explored for their tunable electronic properties.

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

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