NdSbO4

NdSbO4 is a thermodynamically stable semiconducting oxide containing neodymium and antimony.

NdOSb
Crystal structure of NdSbO4 (monoclinic, P21/c (No. 14))
Ground-state structure · Materials Project
Overview

About NdSbO4

NdSbO4 is a thermodynamically stable inorganic compound composed of neodymium, antimony, and oxygen. As a member of the broader family of complex oxides, it exhibits semiconducting electronic behavior, making it a subject of interest for researchers investigating functional materials with stable crystalline architectures. The compound is well-documented across multiple structural databases, reflecting its significance in materials science research. Its stability on the convex hull suggests it is a robust phase capable of maintaining its structural integrity under standard conditions. This reliability makes it a valuable candidate for further exploration in electronic and optoelectronic material development.

At a glance

Key Properties

Cross-validated computational properties for NdSbO4, aggregated across 3 databases.

Band Gap

2.24 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

5
3 databases, 1 space group
Crystallography

Reported Structures

Lowest-energy structures reported for NdSbO4, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
P21/c (No. 14)monoclinic2.240.0000-7.5816.87
P21/c (No. 14)
P21/c (No. 14)Monoclinic6.66
P21/c (No. 14)Monoclinic7.26
P21/c (No. 14)Monoclinic6.92
Uses

Applications

Where NdSbO4 is used.

Semiconductor researchMaterials science studiesFunctional oxide development
Reference

Frequently Asked Questions

Common questions about NdSbO4, answered from cross-validated data.

What is NdSbO4?

NdSbO4 is a thermodynamically stable semiconducting oxide containing neodymium and antimony.

More questions
What is NdSbO4 used for?
NdSbO4 is used in semiconductor research, materials science studies, and functional oxide development.
What is the band gap of NdSbO4?
NdSbO4 has a DFT-computed band gap of 2.24 eV across 5 reported structures.
Is NdSbO4 a metal, semiconductor, or insulator?
With a band gap up to 2.24 eV it is a semiconductor.
Is NdSbO4 thermodynamically stable?
Yes — NdSbO4 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of NdSbO4?
The lowest-energy reported polymorph of NdSbO4 is monoclinic symmetry, space group P21/c (No. 14).
What is the density of NdSbO4?
The computed density of the ground-state structure of NdSbO4 is 6.87 g/cm³.
How many polymorphs of NdSbO4 are known?
5 structures of NdSbO4 are reported across 3 databases, spanning 1 distinct space group.
What elements does NdSbO4 contain?
NdSbO4 contains Nd, O, and Sb (3 elements).
Where does the data for NdSbO4 come from?
NdSbO4 data is cross-referenced from materials_project, jarvis, mpaloe.
Comparison

How It Compares

As a distinct oxide phase, NdSbO4 occupies a unique position within the landscape of ternary neodymium-antimony-oxygen compounds. While it shares the general characteristics of rare-earth antimonates, its specific electronic profile and structural stability distinguish it as a reliable material for fundamental studies in semiconductor physics.

Data sources & attribution
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
  • mpaloe — Data from mpaloe.

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