Nb4Pb3O13
Nb4Pb3O13 is a thermodynamically stable semiconducting perovskite oxide used in materials research.
About Nb4Pb3O13
Nb4Pb3O13 is a complex perovskite oxide that occupies a stable position on the thermodynamic convex hull. Its structural integrity and electronic nature make it a significant subject of study for researchers exploring the diverse properties of niobate-based materials. As a semiconducting oxide, it contributes to our understanding of how lead and niobium ions interact within a perovskite framework. Its presence in multiple structural databases highlights its importance as a stable phase in the landscape of inorganic materials science.
Key Properties
Cross-validated computational properties for Nb4Pb3O13, aggregated across 2 databases.
Band GapEnergy needed to move an electron from the valence band to the conduction band. Lower or zero values tend to behave more metallic; larger gaps are more insulating or semiconducting.
Energy Above HullThermodynamic distance from the most stable set of competing phases. 0 eV/atom is on the convex hull; small positive values may still be experimentally accessible.
StabilityA plain-language summary of the best reported energy-above-hull result. It reflects whether the lowest-energy structure is on, near, or far from the stability hull.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of Nb4Pb3O13. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for Nb4Pb3O13, ranked by energy above hull.
| Space GroupSymmetry classification of the crystal arrangement. The number is the international space-group index. | Crystal SystemBroad lattice family, such as cubic, tetragonal, monoclinic, or triclinic, derived from unit-cell symmetry. | Band Gap (eV)Electronic gap calculated for this specific reported structure, measured in electronvolts. | E above hull (eV/atom)Thermodynamic distance from the convex hull for this structure, normalized per atom. Lower is generally more stable. | E/atom (eV)Computed total energy normalized per atom. Use energy above hull, not this value alone, when comparing stability. | Density (g/cm³)Mass per relaxed crystal volume, reported in grams per cubic centimeter. |
|---|---|---|---|---|---|
| R3m (No. 160) | trigonal | 2.75 | 0.0000 | -2.362 | — |
| Pmma (No. 51) | orthorhombic | 2.21 | 0.0000 | -8.438 | 6.60 |
| R3m (No. 160) | trigonal | 3.11 | 0.0094 | -8.428 | 6.51 |
| R3m (No. 160) | trigonal | — | — | — | 6.78 |
| R3m (No. 160) | trigonal | — | — | — | 6.48 |
| R3m (No. 160) | trigonal | — | — | — | 6.60 |
Synthesis Routes
Literature-extracted synthesis procedures targeting Nb4Pb3O13.
Applications
Where Nb4Pb3O13 is used.
Frequently Asked Questions
Common questions about Nb4Pb3O13, answered from cross-validated data.
What is Nb4Pb3O13?
Nb4Pb3O13 is a thermodynamically stable semiconducting perovskite oxide used in materials research.
What is Nb4Pb3O13 used for?
What is the band gap of Nb4Pb3O13?
Is Nb4Pb3O13 a metal, semiconductor, or insulator?
Is Nb4Pb3O13 thermodynamically stable?
What is the crystal structure of Nb4Pb3O13?
What is the density of Nb4Pb3O13?
How many polymorphs of Nb4Pb3O13 are known?
How is Nb4Pb3O13 synthesized?
What elements does Nb4Pb3O13 contain?
Where does the data for Nb4Pb3O13 come from?
How It Compares
Within the perovskite oxides class.
Unlike the widely utilized ferroelectric BaTiO3 or the magnetic perovskites such as LaMnO3 and LaFeO3, Nb4Pb3O13 represents a more specialized structural configuration within the broader perovskite oxide family. While many of its siblings are primarily investigated for their switchable polarization or catalytic activity, this compound is distinguished by its specific stoichiometry and thermodynamic stability, providing a unique reference point for structural variations in complex oxide lattices.
Related Compounds
Other Perovskite Oxides in the database.
Data sources & attribution
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
Analyze Nb4Pb3O13 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 85 source databases.
Explore the Platform →