LiP2WO8
This compound is a complex inorganic phosphate containing lithium and tungsten. It is primarily investigated in materials science research for its potential utility in electrochemical systems and solid-state ion transport applications.
LiOPW
Overview
Key Properties
Cross-validated computational properties for LiP2WO8, 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.
0.90–3.66 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.
0.048 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.
13
3 databases, 4 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for LiP2WO8, 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. |
|---|---|---|---|---|---|
| P21/c (No. 14) | monoclinic | 3.38 | 0.0483 | -7.954 | 3.65 |
| C2/m (No. 12) | monoclinic | 2.53 | 0.0515 | -7.951 | 4.13 |
| P212121 (No. 19) | orthorhombic | 3.66 | 0.0567 | -7.946 | 3.74 |
| P21/c (No. 14) | monoclinic | 0.90 | 0.0613 | -7.941 | 3.91 |
| P21/c (No. 14) | monoclinic | 3.54 | 0.0621 | -7.940 | 3.74 |
| P21 (No. 4) | monoclinic | 2.35 | 0.0621 | -7.940 | 4.05 |
| P21 (No. 4) | Monoclinic | — | — | — | 4.05 |
| P21 (No. 4) | Monoclinic | — | — | — | 4.43 |
| P21 (No. 4) | Monoclinic | — | — | — | 4.17 |
| C2/m (No. 12) | — | — | — | — | — |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.54 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.13 |
Uses
Applications
Where LiP2WO8 is used.
Solid-state electrolyte researchBattery material developmentMaterials science research
Reference
Frequently Asked Questions
Common questions about LiP2WO8, answered from cross-validated data.
What is LiP2WO8?
This compound is a complex inorganic phosphate containing lithium and tungsten. It is primarily investigated in materials science research for its potential utility in electrochemical systems and solid-state ion transport applications.
More questions
What is LiP2WO8 used for?
LiP2WO8 is used in solid-state electrolyte research, battery material development, and materials science research.
What is the band gap of LiP2WO8?
LiP2WO8 has a DFT-computed band gap of 0.90–3.66 eV across 13 reported structures.
Is LiP2WO8 a metal, semiconductor, or insulator?
With a wide band gap up to 3.66 eV it is an insulator / wide-band-gap material.
Is LiP2WO8 thermodynamically stable?
LiP2WO8 has a lowest energy above hull of 0.048 eV/atom (metastable).
What is the crystal structure of LiP2WO8?
The lowest-energy reported polymorph of LiP2WO8 is monoclinic symmetry, space group P21/c (No. 14).
What is the density of LiP2WO8?
The computed density of the ground-state structure of LiP2WO8 is 3.65 g/cm³.
How many polymorphs of LiP2WO8 are known?
13 structures of LiP2WO8 are reported across 3 databases, spanning 4 distinct space groups.
What elements does LiP2WO8 contain?
LiP2WO8 contains Li, O, P, and W (4 elements).
Where does the data for LiP2WO8 come from?
LiP2WO8 data is cross-referenced from materials_project, mpaloe, jarvis.
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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