As16Nd8O36

As16Nd8O36 is a stable, insulating crystalline oxide composed of arsenic, neodymium, and oxygen.

AsNdO
Crystal structure of As16Nd8O36 (triclinic, P-1 (No. 2))
Ground-state structure · Materials Project
Overview

About As16Nd8O36

As16Nd8O36 is a complex oxide composed of arsenic, neodymium, and oxygen. As a thermodynamically stable phase located on the convex hull, it represents a robust structural arrangement within this chemical system.

Characterized by its wide-band-gap insulating nature, this compound is of interest for applications requiring stable dielectric or electronic properties. Its existence as a well-defined crystalline phase makes it a significant subject for researchers investigating rare-earth arsenic oxides.

At a glance

Key Properties

Cross-validated computational properties for As16Nd8O36, aggregated across 2 databases.

Band Gap

3.34 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
1 DFT source

Structures

2
2 databases, 1 space group
Crystallography

Reported Structures

Lowest-energy structures reported for As16Nd8O36, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
P-1 (No. 2)triclinic3.340.0000-7.3025.17
4.87
Uses

Applications

Where As16Nd8O36 is used.

Dielectric materials researchSolid-state chemistryAdvanced oxide electronics
Intellectual Property

Patent Landscape

3 patents reference As16Nd8O36 or close compositional variants.

PatentTitleAssigneeGranted
8248032Charging system for prioritizing load consumption in a notebook computer
8263193Vacuum treatment method
8268035Process for producing refractory metal alloy powders
Reference

Frequently Asked Questions

Common questions about As16Nd8O36, answered from cross-validated data.

What is As16Nd8O36?

As16Nd8O36 is a stable, insulating crystalline oxide composed of arsenic, neodymium, and oxygen.

More questions
What is As16Nd8O36 used for?
As16Nd8O36 is used in dielectric materials research, solid-state chemistry, and advanced oxide electronics.
What is the band gap of As16Nd8O36?
As16Nd8O36 has a DFT-computed band gap of 3.34 eV across 2 reported structures.
Is As16Nd8O36 a metal, semiconductor, or insulator?
With a wide band gap up to 3.34 eV it is an insulator / wide-band-gap material.
Is As16Nd8O36 thermodynamically stable?
Yes — As16Nd8O36 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of As16Nd8O36?
The lowest-energy reported polymorph of As16Nd8O36 is triclinic symmetry, space group P-1 (No. 2).
What is the density of As16Nd8O36?
The computed density of the ground-state structure of As16Nd8O36 is 5.17 g/cm³.
How many polymorphs of As16Nd8O36 are known?
2 structures of As16Nd8O36 are reported across 2 databases, spanning 1 distinct space group.
What elements does As16Nd8O36 contain?
As16Nd8O36 contains As, Nd, and O (3 elements).
Where does the data for As16Nd8O36 come from?
As16Nd8O36 data is cross-referenced from materials_project, omat24.
Comparison

How It Compares

As a thermodynamically stable oxide, this compound serves as a reference point for structural integrity within its chemical family, demonstrating a distinct configuration that persists under standard conditions.

Data sources & attribution
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).

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