DyNbO4
Dysprosium niobate · Dysprosium orthoniobate
Dysprosium niobate is a crystalline ceramic material belonging to the rare-earth niobate family. It is primarily studied for its structural stability and potential utility in advanced electronic and optical technologies.
DyNbO
Overview
Key Properties
Cross-validated computational properties for Dysprosium niobate, 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.
2.36–3.92 eV
Range across DFT structures
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.
0.000 eV/atom
Best (lowest) across sources
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.
On hull (stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
18
3 databases, 6 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for DyNbO4, ranked by energy above hull.
| Space GroupSymmetry classification of the crystal arrangement. The number is the international space-group index. | Crystal SystemBroad lattice family, such as cubic, tetragonal, monoclinic, or triclinic, derived from unit-cell symmetry. | Band Gap (eV)Electronic gap calculated for this specific reported structure, measured in electronvolts. | E above hull (eV/atom)Thermodynamic distance from the convex hull for this structure, normalized per atom. Lower is generally more stable. | E/atom (eV)Computed total energy normalized per atom. Use energy above hull, not this value alone, when comparing stability. | Density (g/cm³)Mass per relaxed crystal volume, reported in grams per cubic centimeter. |
|---|---|---|---|---|---|
| C2/c (No. 15) | monoclinic | 3.49 | 0.0000 | -9.321 | 7.13 |
| I41/a (No. 88) | tetragonal | 3.65 | 0.0030 | -9.318 | 7.11 |
| P2/c (No. 13) | monoclinic | 3.26 | 0.0034 | -9.318 | 7.18 |
| I41 (No. 80) | tetragonal | 3.64 | 0.0143 | -9.307 | 6.91 |
| C2/m (No. 12) | monoclinic | 3.25 | 0.0746 | -9.247 | 5.58 |
| I41/amd (No. 141) | tetragonal | 3.92 | 0.0820 | -9.239 | 5.87 |
| I41/a (No. 88) | tetragonal | 2.36 | 0.3430 | -8.978 | 7.96 |
| I41/amd (No. 141) | Tetragonal | — | — | — | 6.13 |
| I41/amd (No. 141) | Tetragonal | — | — | — | 5.87 |
| I41/amd (No. 141) | — | — | — | — | — |
| I41/a (No. 88) | Tetragonal | — | — | — | 7.12 |
| I41/a (No. 88) | Tetragonal | — | — | — | 7.02 |
Uses
Applications
Where Dysprosium niobate is used.
Dielectric materials researchSolid-state electronicsOptical component development
Reference
Frequently Asked Questions
Common questions about Dysprosium niobate, answered from cross-validated data.
What is DyNbO4?
Dysprosium niobate is a crystalline ceramic material belonging to the rare-earth niobate family. It is primarily studied for its structural stability and potential utility in advanced electronic and optical technologies.
More questions
What is DyNbO4 used for?
Dysprosium niobate (DyNbO4) is used in dielectric materials research, solid-state electronics, and optical component development.
What is the band gap of DyNbO4?
Dysprosium niobate (DyNbO4) has a DFT-computed band gap of 2.36–3.92 eV across 18 reported structures.
Is DyNbO4 a metal, semiconductor, or insulator?
With a wide band gap up to 3.92 eV it is an insulator / wide-band-gap material.
Is DyNbO4 thermodynamically stable?
Yes — Dysprosium niobate (DyNbO4) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of DyNbO4?
The lowest-energy reported polymorph of Dysprosium niobate (DyNbO4) is monoclinic symmetry, space group C2/c (No. 15).
What is the density of DyNbO4?
The computed density of the ground-state structure of Dysprosium niobate (DyNbO4) is 7.13 g/cm³.
How many polymorphs of DyNbO4 are known?
18 structures of DyNbO4 are reported across 3 databases, spanning 6 distinct space groups.
What elements does DyNbO4 contain?
Dysprosium niobate (DyNbO4) contains Dy, Nb, and O (3 elements).
Where does the data for DyNbO4 come from?
DyNbO4 data is cross-referenced from materials_project, mpaloe, jarvis.
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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