Li3P2WO8
This compound is a complex inorganic material consisting of lithium, phosphorus, tungsten, and oxygen. It is primarily studied for its potential role as a solid-state electrolyte component in advanced energy storage systems.
LiOPW
Overview
Key Properties
Cross-validated computational properties for Li3P2WO8, 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.
3.90–4.22 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.
0.052 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.
Metastable
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
7
3 databases, 3 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Li3P2WO8, 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 | 4.10 | 0.0522 | -7.480 | 4.39 |
| C2 (No. 5) | monoclinic | 3.90 | 0.0531 | -7.479 | 4.39 |
| P21/c (No. 14) | monoclinic | 4.22 | 0.0584 | -7.474 | 4.39 |
| C2/m (No. 12) | — | — | — | — | — |
| C2 (No. 5) | Monoclinic | — | — | — | 4.39 |
| C2 (No. 5) | Monoclinic | — | — | — | 4.79 |
| C2 (No. 5) | Monoclinic | — | — | — | 4.54 |
Uses
Applications
Where Li3P2WO8 is used.
Solid-state battery researchIonic conductivity studiesMaterials science development
Reference
Frequently Asked Questions
Common questions about Li3P2WO8, answered from cross-validated data.
What is Li3P2WO8?
This compound is a complex inorganic material consisting of lithium, phosphorus, tungsten, and oxygen. It is primarily studied for its potential role as a solid-state electrolyte component in advanced energy storage systems.
More questions
What is Li3P2WO8 used for?
Li3P2WO8 is used in solid-state battery research, ionic conductivity studies, and materials science development.
What is the band gap of Li3P2WO8?
Li3P2WO8 has a DFT-computed band gap of 3.90–4.22 eV across 7 reported structures.
Is Li3P2WO8 a metal, semiconductor, or insulator?
With a wide band gap up to 4.22 eV it is an insulator / wide-band-gap material.
Is Li3P2WO8 thermodynamically stable?
Li3P2WO8 has a lowest energy above hull of 0.052 eV/atom (metastable).
What is the crystal structure of Li3P2WO8?
The lowest-energy reported polymorph of Li3P2WO8 is monoclinic symmetry, space group C2/m (No. 12).
What is the density of Li3P2WO8?
The computed density of the ground-state structure of Li3P2WO8 is 4.39 g/cm³.
How many polymorphs of Li3P2WO8 are known?
7 structures of Li3P2WO8 are reported across 3 databases, spanning 3 distinct space groups.
What elements does Li3P2WO8 contain?
Li3P2WO8 contains Li, O, P, and W (4 elements).
Where does the data for Li3P2WO8 come from?
Li3P2WO8 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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