La4Nb4O24Te4
This complex oxide belongs to a class of materials often investigated for their unique structural properties and potential for ionic conductivity. It is primarily utilized in solid-state chemistry research to explore the relationship between crystal structure and electrochemical performance.
LaNbOTe
Overview
Key Properties
Cross-validated computational properties for La4Nb4O24Te4, 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.
3.30 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 La4Nb4O24Te4, 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. |
|---|---|---|---|---|---|
| P-1 (No. 2) | triclinic | 3.30 | 0.0000 | -8.194 | 5.62 |
| P-1 (No. 2) | — | — | — | — | — |
| — | — | — | — | — | 3.96 |
Uses
Applications
Where La4Nb4O24Te4 is used.
Solid-state ionics researchMaterials science explorationCrystal structure studies
Reference
Frequently Asked Questions
Common questions about La4Nb4O24Te4, answered from cross-validated data.
What is La4Nb4O24Te4?
This complex oxide belongs to a class of materials often investigated for their unique structural properties and potential for ionic conductivity. It is primarily utilized in solid-state chemistry research to explore the relationship between crystal structure and electrochemical performance.
What is La4Nb4O24Te4 used for?
La4Nb4O24Te4 is used in solid-state ionics research, materials science exploration, and crystal structure studies.
What is the band gap of La4Nb4O24Te4?
La4Nb4O24Te4 has a DFT-computed band gap of 3.30 eV across 3 reported structures.
Is La4Nb4O24Te4 a metal, semiconductor, or insulator?
With a wide band gap up to 3.30 eV it is an insulator / wide-band-gap material.
Is La4Nb4O24Te4 thermodynamically stable?
Yes — La4Nb4O24Te4 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of La4Nb4O24Te4?
The lowest-energy reported polymorph of La4Nb4O24Te4 is triclinic symmetry, space group P-1 (No. 2).
What is the density of La4Nb4O24Te4?
The computed density of the ground-state structure of La4Nb4O24Te4 is 5.62 g/cm³.
How many polymorphs of La4Nb4O24Te4 are known?
3 structures of La4Nb4O24Te4 are reported across 3 databases, spanning 1 distinct space group.
What elements does La4Nb4O24Te4 contain?
La4Nb4O24Te4 contains La, Nb, O, and Te (4 elements).
Where does the data for La4Nb4O24Te4 come from?
La4Nb4O24Te4 data is cross-referenced from materials_project, aflow, omat24.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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