Li4WO5
Lithium tungstate is a crystalline inorganic compound that serves as a solid-state material in materials science research. It is primarily investigated for its potential role as a lithium-ion conductor in advanced energy storage systems.
Overview
Key Properties
Cross-validated computational properties for Li4WO5, 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.
3.11–3.89 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.
12
3 databases, 2 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Li4WO5, 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 | 3.89 | 0.0000 | -6.904 | 5.17 |
| I4 (No. 79) | tetragonal | 3.11 | 0.0331 | -6.871 | 5.52 |
| P-1 (No. 2) | triclinic | 0.00 | 1.5765 | -5.328 | 5.16 |
| P-1 (No. 2) | triclinic | 0.00 | 3.5780 | -3.326 | 5.16 |
| P-1 (No. 2) | Triclinic | — | — | — | 5.17 |
| P-1 (No. 2) | Triclinic | — | — | — | 5.32 |
| P-1 (No. 2) | — | — | — | — | — |
| I4 (No. 79) | — | — | — | — | — |
| I4 (No. 79) | Tetragonal | — | — | — | 5.20 |
| I4 (No. 79) | Tetragonal | — | — | — | 5.37 |
| P-1 (No. 2) | Triclinic | — | — | — | 5.59 |
| I4 (No. 79) | Tetragonal | — | — | — | 5.61 |
Uses
Applications
Where Li4WO5 is used.
Solid-state electrolyte researchLithium-ion battery developmentMaterials science experimentation
Reference
Frequently Asked Questions
Common questions about Li4WO5, answered from cross-validated data.
What is Li4WO5?
Lithium tungstate is a crystalline inorganic compound that serves as a solid-state material in materials science research. It is primarily investigated for its potential role as a lithium-ion conductor in advanced energy storage systems.
More questions
What is Li4WO5 used for?
Li4WO5 is used in solid-state electrolyte research, lithium-ion battery development, and materials science experimentation.
What is the band gap of Li4WO5?
Li4WO5 has a DFT-computed band gap of 3.11–3.89 eV across 12 reported structures.
Is Li4WO5 a metal, semiconductor, or insulator?
With a wide band gap up to 3.89 eV it is an insulator / wide-band-gap material.
Is Li4WO5 thermodynamically stable?
Yes — Li4WO5 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Li4WO5?
The lowest-energy reported polymorph of Li4WO5 is triclinic symmetry, space group P-1 (No. 2).
What is the density of Li4WO5?
The computed density of the ground-state structure of Li4WO5 is 5.17 g/cm³.
How many polymorphs of Li4WO5 are known?
12 structures of Li4WO5 are reported across 3 databases, spanning 2 distinct space groups.
What elements does Li4WO5 contain?
Li4WO5 contains Li, O, and W (3 elements).
Where does the data for Li4WO5 come from?
Li4WO5 data is cross-referenced from materials_project, mpaloe, jarvis.
Explore
Related Compounds
Other Lithium Oxides in the database.
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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