Nb2PbO6

Nb2PbO6 is a thermodynamically stable semiconducting perovskite oxide used in advanced materials research.

Crystal structure of Nb2PbO6 (trigonal, R-3 (No. 148))
Ground-state structure · Materials Project
Overview

About Nb2PbO6

Nb2PbO6 is a thermodynamically stable perovskite oxide that occupies a distinct position within the class of complex oxides. Its semiconducting electronic character makes it an intriguing candidate for electronic and optoelectronic applications where stable, inorganic frameworks are required.

As a member of the diverse perovskite family, this compound benefits from a highly ordered structural arrangement. Its presence on the convex hull underscores its inherent stability, providing a reliable foundation for researchers investigating the interplay between lead-niobate chemistry and functional material performance.

At a glance

Key Properties

Cross-validated computational properties for Nb2PbO6, aggregated across 3 databases.

Band Gap

1.93–2.65 eV
Range across DFT structures

Energy Above Hull

0.001 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

9
3 databases, 5 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for Nb2PbO6, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
R-3 (No. 148)trigonal2.650.0006-8.7016.47
R3 (No. 146)trigonal2.600.0009-8.7006.47
R3m (No. 160)trigonal2.460.0088-8.6936.47
Pm (No. 6)monoclinic1.930.0103-8.6916.06
Ama2 (No. 40)orthorhombic2.050.0125-8.6896.08
R-3 (No. 148)
R3 (No. 146)Trigonal6.55
R3 (No. 146)Trigonal6.26
R3 (No. 146)Trigonal6.37
Uses

Applications

Where Nb2PbO6 is used.

Semiconductor researchOxide electronicsMaterials science development
Reference

Frequently Asked Questions

Common questions about Nb2PbO6, answered from cross-validated data.

What is Nb2PbO6?

Nb2PbO6 is a thermodynamically stable semiconducting perovskite oxide used in advanced materials research.

More questions
What is Nb2PbO6 used for?
Nb2PbO6 is used in semiconductor research, oxide electronics, and materials science development.
What is the band gap of Nb2PbO6?
Nb2PbO6 has a DFT-computed band gap of 1.93–2.65 eV across 9 reported structures.
Is Nb2PbO6 a metal, semiconductor, or insulator?
With a band gap up to 2.65 eV it is a semiconductor.
Is Nb2PbO6 thermodynamically stable?
Yes — Nb2PbO6 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Nb2PbO6?
The lowest-energy reported polymorph of Nb2PbO6 is trigonal symmetry, space group R-3 (No. 148).
What is the density of Nb2PbO6?
The computed density of the ground-state structure of Nb2PbO6 is 6.47 g/cm³.
How many polymorphs of Nb2PbO6 are known?
9 structures of Nb2PbO6 are reported across 3 databases, spanning 5 distinct space groups.
What elements does Nb2PbO6 contain?
Nb2PbO6 contains Nb, O, and Pb (3 elements).
Where does the data for Nb2PbO6 come from?
Nb2PbO6 data is cross-referenced from materials_project, jarvis, mpaloe.
Comparison

How It Compares

Within the perovskite oxides class.

Unlike the highly studied ferroelectric BiFeO3 or the widely used dielectric BaTiO3, Nb2PbO6 represents a more specialized niche within the perovskite oxide class. While siblings like LaMnO3 and LaCoO3 are frequently explored for their magnetic and catalytic properties, Nb2PbO6 is distinguished by its specific stoichiometry and stable semiconducting nature, offering a unique structural alternative to the more common lanthanum-based perovskites.

Explore

Related Compounds

Other Perovskite Oxides in the database.

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

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