Li2P2WO8
Li2P2WO8 is a stable, wide-band-gap insulating inorganic compound that exhibits significant structural diversity.
About Li2P2WO8
Li2P2WO8 is a complex inorganic compound composed of lithium, phosphorus, tungsten, and oxygen. It functions as a wide-band-gap insulator, characterized by its electronic stability and insulating nature, which makes it an intriguing subject for fundamental materials science exploration.
Given its status as a near-hull material, Li2P2WO8 is considered highly likely to be synthesizable under standard laboratory conditions. The significant body of reported structural data underscores its versatility and the potential for diverse atomic arrangements within its crystalline lattice.
Key Properties
Cross-validated computational properties for Li2P2WO8, 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.
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.
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.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of Li2P2WO8. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for Li2P2WO8, 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 | 3.05 | 0.0063 | -7.761 | 4.00 |
| P-3 (No. 147) | trigonal | 3.25 | 0.0358 | -7.732 | 3.99 |
| P-3 (No. 147) | trigonal | 0.35 | 0.0648 | -2.268 | — |
| Pc (No. 7) | monoclinic | 2.79 | 0.0654 | -7.702 | 4.23 |
| Pmc21 (No. 26) | orthorhombic | 0.00 | 0.0720 | -2.261 | — |
| Pmc21 (No. 26) | orthorhombic | 0.00 | 0.1149 | -2.218 | — |
| Pc (No. 7) | monoclinic | — | — | — | 4.37 |
| Pc (No. 7) | monoclinic | — | — | — | 4.23 |
| P21/c (No. 14) | monoclinic | — | — | — | 4.37 |
| Pc (No. 7) | monoclinic | — | — | — | 4.63 |
| P21/c (No. 14) | monoclinic | — | — | — | 4.00 |
| P21/c (No. 14) | monoclinic | — | — | — | 4.14 |
Applications
Where Li2P2WO8 is used.
Frequently Asked Questions
Common questions about Li2P2WO8, answered from cross-validated data.
What is Li2P2WO8?
Li2P2WO8 is a stable, wide-band-gap insulating inorganic compound that exhibits significant structural diversity.
What is Li2P2WO8 used for?
What is the band gap of Li2P2WO8?
Is Li2P2WO8 a metal, semiconductor, or insulator?
Is Li2P2WO8 thermodynamically stable?
What is the crystal structure of Li2P2WO8?
What is the density of Li2P2WO8?
How many polymorphs of Li2P2WO8 are known?
What elements does Li2P2WO8 contain?
Where does the data for Li2P2WO8 come from?
How It Compares
As a unique inorganic structure, Li2P2WO8 occupies a distinct niche in the landscape of lithium-based polyanionic materials. While it lacks direct structural siblings in this specific dataset, its favorable thermodynamic stability and insulating electronic character position it as a robust candidate for future experimental characterization compared to more unstable or highly reactive counterparts.
Data sources & attribution
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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