B4Nd4O12

B4Nd4O12 is a thermodynamically stable, wide-gap insulating compound composed of neodymium, boron, and oxygen.

BNdO
Crystal structure of B4Nd4O12
Ground-state structure · Materials Project
Overview

About B4Nd4O12

B4Nd4O12 is a thermodynamically stable complex oxide featuring a combination of boron, neodymium, and oxygen. As a wide-gap insulator, it exhibits robust electronic characteristics that are of significant interest for fundamental materials research and potential specialized optical applications.

Its position on the convex hull underscores its structural integrity, making it a reliable subject for multi-database analysis. The compound is part of a growing body of research into rare-earth borates, where the interplay between the lanthanide cation and the borate framework dictates its unique physical properties.

At a glance

Key Properties

Cross-validated computational properties for B4Nd4O12, aggregated across 4 databases.

Band Gap

4.70–5.07 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

6
4 databases, 3 space groups
Uses

Applications

Where B4Nd4O12 is used.

Solid-state researchOptical materials developmentFundamental materials science
Reference

Frequently Asked Questions

Common questions about B4Nd4O12, answered from cross-validated data.

What is B4Nd4O12?

B4Nd4O12 is a thermodynamically stable, wide-gap insulating compound composed of neodymium, boron, and oxygen.

More questions
What is B4Nd4O12 used for?
B4Nd4O12 is used in solid-state research, optical materials development, and fundamental materials science.
What is the band gap of B4Nd4O12?
B4Nd4O12 has a DFT-computed band gap of 4.70–5.07 eV across 6 reported structures.
Is B4Nd4O12 a metal, semiconductor, or insulator?
With a wide band gap up to 5.07 eV it is an insulator / wide-band-gap material.
Is B4Nd4O12 thermodynamically stable?
Yes — B4Nd4O12 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of B4Nd4O12 are known?
6 structures of B4Nd4O12 are reported across 4 databases, spanning 3 distinct space groups.
What elements does B4Nd4O12 contain?
B4Nd4O12 contains B, Nd, and O (3 elements).
Where does the data for B4Nd4O12 come from?
B4Nd4O12 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a distinct rare-earth borate, B4Nd4O12 serves as a foundational example of stable oxide chemistry, representing a specific structural configuration within the broader landscape of neodymium-based insulating materials.

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

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