K2PbO3

K2PbO3 is a stable, semiconducting ternary oxide of potassium, lead, and oxygen.

KOPb
Crystal structure of K2PbO3 (hexagonal, P63/mcm (No. 193))
Ground-state structure · Materials Project
Overview

About K2PbO3

K2PbO3 is a complex oxide composed of potassium, lead, and oxygen. As a thermodynamically stable phase residing on the convex hull, it represents a robust configuration within the chemical space of ternary oxides. Its electronic character as a semiconductor makes it an intriguing subject for investigating charge transport properties in lead-based systems.

Given its structural diversity, with numerous reported configurations across multiple databases, this compound is a significant candidate for materials modeling. Its stability suggests potential for synthesis and practical integration in specialized electronic or optoelectronic applications where lead-containing oxides are utilized.

At a glance

Key Properties

Cross-validated computational properties for K2PbO3, aggregated across 3 databases.

Band Gap

1.14–1.24 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

14
3 databases, 3 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for K2PbO3, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
P63/mcm (No. 193)hexagonal1.140.0000-5.0585.68
Pnma (No. 62)orthorhombic1.240.0284-5.0304.99
Cmc21 (No. 36)orthorhombic1.210.0300-5.0284.96
Cmc21 (No. 36)Orthorhombic4.73
Cmc21 (No. 36)Orthorhombic4.96
Cmc21 (No. 36)Orthorhombic4.89
Pnma (No. 62)Orthorhombic4.75
Pnma (No. 62)Orthorhombic4.99
Pnma (No. 62)Orthorhombic4.91
P63/mcm (No. 193)Hexagonal5.71
Cmc21 (No. 36)
P63/mcm (No. 193)
Uses

Applications

Where K2PbO3 is used.

Semiconductor researchMaterials science modelingSolid-state chemistry studies
Reference

Frequently Asked Questions

Common questions about K2PbO3, answered from cross-validated data.

What is K2PbO3?

K2PbO3 is a stable, semiconducting ternary oxide of potassium, lead, and oxygen.

More questions
What is K2PbO3 used for?
K2PbO3 is used in semiconductor research, materials science modeling, and solid-state chemistry studies.
What is the band gap of K2PbO3?
K2PbO3 has a DFT-computed band gap of 1.14–1.24 eV across 14 reported structures.
Is K2PbO3 a metal, semiconductor, or insulator?
With a band gap up to 1.24 eV it is a semiconductor.
Is K2PbO3 thermodynamically stable?
Yes — K2PbO3 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of K2PbO3?
The lowest-energy reported polymorph of K2PbO3 is hexagonal symmetry, space group P63/mcm (No. 193).
What is the density of K2PbO3?
The computed density of the ground-state structure of K2PbO3 is 5.68 g/cm³.
How many polymorphs of K2PbO3 are known?
14 structures of K2PbO3 are reported across 3 databases, spanning 3 distinct space groups.
What elements does K2PbO3 contain?
K2PbO3 contains K, O, and Pb (3 elements).
Where does the data for K2PbO3 come from?
K2PbO3 data is cross-referenced from materials_project, mpaloe, jarvis.
Comparison

How It Compares

As a thermodynamically stable oxide, K2PbO3 serves as a foundational reference point for exploring the broader landscape of ternary potassium-lead-oxygen compounds. Its position on the convex hull highlights its structural reliability, distinguishing it from less stable phases that may be prone to decomposition under standard conditions.

Data sources & attribution
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • mpaloe — Data from mpaloe.
  • jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).

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