Li4O48P16W4
This compound is a complex lithium-containing phosphate-tungstate material. It is primarily utilized in advanced materials research as a precursor or structural component for developing specialized solid-state ionic conductors and ceramic materials.
LiOPW
Overview
Key Properties
Cross-validated computational properties for Li4O48P16W4, aggregated across 2 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.
1.50–4.34 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)
1 DFT source
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
15
2 databases, 7 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Li4O48P16W4, 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. |
|---|---|---|---|---|---|
| Pbcn (No. 60) | orthorhombic | 4.12 | 0.0000 | -7.868 | 3.16 |
| C2/c (No. 15) | monoclinic | 4.34 | 0.0087 | -7.859 | 3.71 |
| C2/c (No. 15) | monoclinic | 4.04 | 0.0112 | -7.857 | 3.57 |
| P-1 (No. 2) | triclinic | 4.01 | 0.0116 | -7.856 | 3.58 |
| C2/c (No. 15) | monoclinic | 4.23 | 0.0242 | -7.844 | 3.49 |
| C2/m (No. 12) | monoclinic | 1.50 | 0.0315 | -7.836 | 3.03 |
| P21/c (No. 14) | monoclinic | 4.07 | 0.0316 | -7.836 | 3.49 |
| P21 (No. 4) | monoclinic | 3.95 | 0.0344 | -7.833 | 3.05 |
| C2/c (No. 15) | monoclinic | 1.51 | 0.0484 | -7.819 | 3.45 |
| P21/c (No. 14) | monoclinic | 3.78 | 0.0517 | -7.816 | 3.32 |
| P21 (No. 4) | monoclinic | 4.06 | 0.0531 | -7.815 | 3.64 |
| C2221 (No. 20) | orthorhombic | 4.09 | 0.0613 | -7.806 | 3.24 |
Uses
Applications
Where Li4O48P16W4 is used.
Solid-state electrolyte researchCeramic materials developmentIonic conductivity studies
Reference
Frequently Asked Questions
Common questions about Li4O48P16W4, answered from cross-validated data.
What is Li4O48P16W4?
This compound is a complex lithium-containing phosphate-tungstate material. It is primarily utilized in advanced materials research as a precursor or structural component for developing specialized solid-state ionic conductors and ceramic materials.
More questions
What is Li4O48P16W4 used for?
Li4O48P16W4 is used in solid-state electrolyte research, ceramic materials development, and ionic conductivity studies.
What is the band gap of Li4O48P16W4?
Li4O48P16W4 has a DFT-computed band gap of 1.50–4.34 eV across 15 reported structures.
Is Li4O48P16W4 a metal, semiconductor, or insulator?
With a wide band gap up to 4.34 eV it is an insulator / wide-band-gap material.
Is Li4O48P16W4 thermodynamically stable?
Yes — Li4O48P16W4 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Li4O48P16W4?
The lowest-energy reported polymorph of Li4O48P16W4 is orthorhombic symmetry, space group Pbcn (No. 60).
What is the density of Li4O48P16W4?
The computed density of the ground-state structure of Li4O48P16W4 is 3.16 g/cm³.
How many polymorphs of Li4O48P16W4 are known?
15 structures of Li4O48P16W4 are reported across 2 databases, spanning 7 distinct space groups.
What elements does Li4O48P16W4 contain?
Li4O48P16W4 contains Li, O, P, and W (4 elements).
Where does the data for Li4O48P16W4 come from?
Li4O48P16W4 data is cross-referenced from materials_project, omat24.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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