NdO3
NdO3 is a semiconducting neodymium oxide compound that exhibits structural complexity and is typically found in an unstable thermodynamic state.

About NdO3
NdO3 is a semiconducting oxide compound composed of neodymium and oxygen. Its electronic profile positions it as an intriguing subject for research into rare-earth material behavior, particularly regarding how its stoichiometry influences charge transport properties. The compound is characterized by a notable degree of structural diversity, with multiple reported configurations across various databases. Because it resides above the thermodynamic hull, it is generally considered an unstable phase, making it a challenging but significant target for synthetic studies in materials science.
Key Properties
Cross-validated computational properties for NdO3, aggregated across 3 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.
Frequently Asked Questions
Common questions about NdO3, answered from cross-validated data.
What is NdO3?
NdO3 is a semiconducting neodymium oxide compound that exhibits structural complexity and is typically found in an unstable thermodynamic state.
What is the band gap of NdO3?
Is NdO3 a metal, semiconductor, or insulator?
Is NdO3 thermodynamically stable?
How many polymorphs of NdO3 are known?
What elements does NdO3 contain?
Where does the data for NdO3 come from?
How It Compares
As a unique neodymium-oxygen stoichiometry, NdO3 represents a distinct phase within the rare-earth oxide family. While its lack of thermodynamic stability sets it apart from the more common, highly stable sesquioxides, its existence in multiple structural forms provides a valuable case study for understanding the limits of phase formation in lanthanide-based systems.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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