K2Nb2Nd4O12
This complex oxide is a crystalline material composed of potassium, niobium, neodymium, and oxygen. It is primarily studied in materials science research for its potential dielectric and optical properties in advanced electronic components.
Overview
Key Properties
Cross-validated computational properties for K2Nb2Nd4O12, 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.
3.62 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.
3
3 databases, 1 space group
Crystallography
Reported Structures
Lowest-energy structures reported for K2Nb2Nd4O12, 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/m (No. 12) | monoclinic | 3.62 | 0.0000 | -8.407 | 5.52 |
| — | — | — | — | — | 4.91 |
| C2/m (No. 12) | — | — | — | — | — |
Uses
Applications
Where K2Nb2Nd4O12 is used.
Materials science researchDielectric material developmentOptical component studies
Reference
Frequently Asked Questions
Common questions about K2Nb2Nd4O12, answered from cross-validated data.
What is K2Nb2Nd4O12?
This complex oxide is a crystalline material composed of potassium, niobium, neodymium, and oxygen. It is primarily studied in materials science research for its potential dielectric and optical properties in advanced electronic components.
What is K2Nb2Nd4O12 used for?
K2Nb2Nd4O12 is used in materials science research, dielectric material development, and optical component studies.
What is the band gap of K2Nb2Nd4O12?
K2Nb2Nd4O12 has a DFT-computed band gap of 3.62 eV across 3 reported structures.
Is K2Nb2Nd4O12 a metal, semiconductor, or insulator?
With a wide band gap up to 3.62 eV it is an insulator / wide-band-gap material.
Is K2Nb2Nd4O12 thermodynamically stable?
Yes — K2Nb2Nd4O12 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of K2Nb2Nd4O12?
The lowest-energy reported polymorph of K2Nb2Nd4O12 is monoclinic symmetry, space group C2/m (No. 12).
What is the density of K2Nb2Nd4O12?
The computed density of the ground-state structure of K2Nb2Nd4O12 is 5.52 g/cm³.
How many polymorphs of K2Nb2Nd4O12 are known?
3 structures of K2Nb2Nd4O12 are reported across 3 databases, spanning 1 distinct space group.
What elements does K2Nb2Nd4O12 contain?
K2Nb2Nd4O12 contains K, Nb, Nd, and O (4 elements).
Where does the data for K2Nb2Nd4O12 come from?
K2Nb2Nd4O12 data is cross-referenced from materials_project, omat24, aflow.
Explore
Related Compounds
Other Lead-Free Piezoelectrics in the database.
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).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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