NbCrO4

NbCrO4 is an insulating spinel oxide that is considered a viable target for synthesis in catalytic research.

Crystal structure of NbCrO4
Ground-state structure · Materials Project
Overview

About NbCrO4

NbCrO4 is an insulating spinel oxide characterized by its wide-gap electronic structure. As a near-hull stable compound, it represents a promising candidate for experimental synthesis and investigation within the broader family of complex transition metal oxides.

This material is primarily studied for its potential utility in catalytic applications. Its structural configuration and electronic properties make it a subject of interest for researchers looking to develop stable, oxide-based catalysts for chemical processes.

At a glance

Key Properties

Cross-validated computational properties for NbCrO4, aggregated across 3 databases.

Band Gap

0.64–3.04 eV
Range across DFT structures

Energy Above Hull

0.006 eV/atom
Best (lowest) across sources

Stability

Near hull (likely stable)
2 DFT sources

Structures

22
3 databases, 5 space groups
Synthesis

Synthesis Routes

Literature-extracted synthesis procedures targeting NbCrO4.

Sol Gel
Procedure available · ceder_sol_gel
Solid State
Procedure available · ceder_solid_state
Solid State
Procedure available · ceder_solid_state
Solid State
Procedure available · ceder_solid_state
Uses

Applications

Where NbCrO4 is used.

CatalysisMaterials science research
Reference

Frequently Asked Questions

Common questions about NbCrO4, answered from cross-validated data.

What is NbCrO4?

NbCrO4 is an insulating spinel oxide that is considered a viable target for synthesis in catalytic research.

More questions
What is NbCrO4 used for?
NbCrO4 is used in catalysis and materials science research.
What is the band gap of NbCrO4?
NbCrO4 has a DFT-computed band gap of 0.64–3.04 eV across 22 reported structures.
Is NbCrO4 a metal, semiconductor, or insulator?
With a wide band gap up to 3.04 eV it is an insulator / wide-band-gap material.
Is NbCrO4 thermodynamically stable?
NbCrO4 has a lowest energy above hull of 0.006 eV/atom (near hull (likely stable)).
How many polymorphs of NbCrO4 are known?
22 structures of NbCrO4 are reported across 3 databases, spanning 5 distinct space groups.
How is NbCrO4 synthesized?
Literature-reported routes for NbCrO4 include sol gel, solid state (4 procedures documented).
What elements does NbCrO4 contain?
NbCrO4 contains Cr, Nb, and O (3 elements).
Where does the data for NbCrO4 come from?
NbCrO4 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the spinel oxide catalysts class.

Within the diverse class of spinel and related transition metal oxides, NbCrO4 occupies a unique niche compared to more common members like ZnO or NiO. While compounds such as MgAl2O4 serve as structural benchmarks for the spinel framework, NbCrO4 is distinguished by its specific combination of niobium and chromium, positioning it as a specialized candidate for catalytic research where electronic insulation is a desired trait.

Explore

Related Compounds

Other Spinel Oxide Catalysts in the database.

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

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