LiNbWO6
Lithium niobium tungsten oxide is a complex inorganic compound belonging to the family of mixed-metal oxides. It is primarily studied for its structural properties and potential utility in advanced electronic and optical materials research.
LiNbOW
Overview
Key Properties
Cross-validated computational properties for LiNbWO6, 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.
2.47–2.86 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.
0.014 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.
Near hull (likely stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
13
3 databases, 3 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for LiNbWO6, 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. |
|---|---|---|---|---|---|
| R3 (No. 146) | trigonal | 0.00 | 0.0137 | -8.644 | 5.69 |
| P-421m (No. 113) | tetragonal | 2.47 | 0.0238 | -8.634 | 5.86 |
| Imma (No. 74) | orthorhombic | 2.86 | 0.0991 | -8.558 | 4.42 |
| P-421m (No. 113) | — | — | — | — | — |
| Imma (No. 74) | Orthorhombic | — | — | — | 4.42 |
| Imma (No. 74) | Orthorhombic | — | — | — | 4.79 |
| P-421m (No. 113) | Tetragonal | — | — | — | 5.86 |
| P-421m (No. 113) | Tetragonal | — | — | — | 5.99 |
| R3 (No. 146) | Trigonal | — | — | — | 6.21 |
| Imma (No. 74) | Orthorhombic | — | — | — | 4.55 |
| P-421m (No. 113) | Tetragonal | — | — | — | 6.38 |
| R3 (No. 146) | Trigonal | — | — | — | 5.69 |
Uses
Applications
Where LiNbWO6 is used.
Materials science researchSolid-state chemistry studiesPotential dielectric applications
Reference
Frequently Asked Questions
Common questions about LiNbWO6, answered from cross-validated data.
What is LiNbWO6?
Lithium niobium tungsten oxide is a complex inorganic compound belonging to the family of mixed-metal oxides. It is primarily studied for its structural properties and potential utility in advanced electronic and optical materials research.
More questions
What is LiNbWO6 used for?
LiNbWO6 is used in materials science research, solid-state chemistry studies, and potential dielectric applications.
What is the band gap of LiNbWO6?
LiNbWO6 has a DFT-computed band gap of 2.47–2.86 eV across 13 reported structures.
Is LiNbWO6 a metal, semiconductor, or insulator?
With a band gap up to 2.86 eV it is a semiconductor.
Is LiNbWO6 thermodynamically stable?
LiNbWO6 has a lowest energy above hull of 0.014 eV/atom (near hull (likely stable)).
What is the crystal structure of LiNbWO6?
The lowest-energy reported polymorph of LiNbWO6 is trigonal symmetry, space group R3 (No. 146).
What is the density of LiNbWO6?
The computed density of the ground-state structure of LiNbWO6 is 5.69 g/cm³.
How many polymorphs of LiNbWO6 are known?
13 structures of LiNbWO6 are reported across 3 databases, spanning 3 distinct space groups.
What elements does LiNbWO6 contain?
LiNbWO6 contains Li, Nb, O, and W (4 elements).
Where does the data for LiNbWO6 come from?
LiNbWO6 data is cross-referenced from materials_project, jarvis, mpaloe.
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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