DyTaO4

DyTaO4 is a stable, insulating rare-earth tantalate oxide known for its structural versatility.

DyOTa
Crystal structure of DyTaO4 (monoclinic, P2/c (No. 13))
Ground-state structure · Materials Project
Overview

About DyTaO4

DyTaO4 is a complex oxide composed of dysprosium, tantalum, and oxygen. As a thermodynamically stable compound residing on the convex hull, it represents a robust phase within its chemical system, characterized by a wide-band-gap insulating electronic structure.

The material exhibits significant structural diversity, with multiple reported configurations across various databases. Its insulating nature and stability make it an intriguing subject for research into high-temperature ceramics and dielectric applications where chemical robustness is paramount.

At a glance

Key Properties

Cross-validated computational properties for DyTaO4, aggregated across 3 databases.

Band Gap

4.03–4.13 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

10
3 databases, 2 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for DyTaO4, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
P2/c (No. 13)monoclinic4.030.0000-9.7809.21
C2/c (No. 15)monoclinic4.130.0046-9.7759.21
P2/c (No. 13)Monoclinic8.96
P2/c (No. 13)Monoclinic9.42
P2/c (No. 13)Monoclinic9.10
C2/c (No. 15)Monoclinic9.43
C2/c (No. 15)Monoclinic9.08
C2/c (No. 15)
P2/c (No. 13)
C2/c (No. 15)Monoclinic8.96
Uses

Applications

Where DyTaO4 is used.

High-temperature ceramicsDielectric materialsSolid-state research
Reference

Frequently Asked Questions

Common questions about DyTaO4, answered from cross-validated data.

What is DyTaO4?

DyTaO4 is a stable, insulating rare-earth tantalate oxide known for its structural versatility.

More questions
What is DyTaO4 used for?
DyTaO4 is used in high-temperature ceramics, dielectric materials, and solid-state research.
What is the band gap of DyTaO4?
DyTaO4 has a DFT-computed band gap of 4.03–4.13 eV across 10 reported structures.
Is DyTaO4 a metal, semiconductor, or insulator?
With a wide band gap up to 4.13 eV it is an insulator / wide-band-gap material.
Is DyTaO4 thermodynamically stable?
Yes — DyTaO4 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of DyTaO4?
The lowest-energy reported polymorph of DyTaO4 is monoclinic symmetry, space group P2/c (No. 13).
What is the density of DyTaO4?
The computed density of the ground-state structure of DyTaO4 is 9.21 g/cm³.
How many polymorphs of DyTaO4 are known?
10 structures of DyTaO4 are reported across 3 databases, spanning 2 distinct space groups.
What elements does DyTaO4 contain?
DyTaO4 contains Dy, O, and Ta (3 elements).
Where does the data for DyTaO4 come from?
DyTaO4 data is cross-referenced from materials_project, mpaloe, jarvis.
Comparison

How It Compares

As a member of the rare-earth tantalate family, DyTaO4 serves as a foundational example of how lanthanide elements stabilize complex oxide lattices. It functions as a stable, insulating ceramic that highlights the structural flexibility inherent in these metal-oxide systems.

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

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