NdZrO3
NdZrO3 is a metastable, semimetallic perovskite oxide used in fundamental materials research.
About NdZrO3
NdZrO3 is a complex perovskite oxide composed of neodymium, zirconium, and oxygen. As a metastable material, it represents an intriguing subject for structural studies, with multiple reported configurations documented across various databases. Its electronic character is defined as near-zero-gap, placing it in the semimetallic regime of perovskite oxides.
This compound is primarily of interest in fundamental condensed matter physics and materials science research. Its structural diversity and semimetallic nature make it a candidate for exploring electronic transitions and lattice-driven phenomena that are characteristic of complex oxide systems.
Key Properties
Cross-validated computational properties for NdZrO3, aggregated across 4 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.
Synthesis Routes
Literature-extracted synthesis procedures targeting NdZrO3.
Applications
Where NdZrO3 is used.
Frequently Asked Questions
Common questions about NdZrO3, answered from cross-validated data.
What is NdZrO3?
NdZrO3 is a metastable, semimetallic perovskite oxide used in fundamental materials research.
What is NdZrO3 used for?
What is the band gap of NdZrO3?
Is NdZrO3 a metal, semiconductor, or insulator?
Is NdZrO3 thermodynamically stable?
How many polymorphs of NdZrO3 are known?
How is NdZrO3 synthesized?
What elements does NdZrO3 contain?
Where does the data for NdZrO3 come from?
How It Compares
Within the perovskite oxides class.
Unlike the widely utilized ferroelectric BaTiO3 or the insulating LaAlO3, NdZrO3 occupies a distinct niche as a metastable, semimetallic perovskite. While materials like LaMnO3 and LaFeO3 are frequently studied for their magnetic and insulating properties, NdZrO3 is distinguished by its electronic state, which positions it differently within the broader family of rare-earth zirconate and transition metal perovskites.
Related Compounds
Other Perovskite Oxides in the database.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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