Li2Fe3WO8
Li2Fe3WO8 is a metastable semiconducting quaternary oxide composed of lithium, iron, tungsten, and oxygen.
About Li2Fe3WO8
Li2Fe3WO8 is a complex quaternary oxide characterized by its semiconducting electronic nature. As a metastable phase, it represents a unique arrangement of lithium, iron, tungsten, and oxygen atoms that offers intriguing possibilities for materials engineering and solid-state research.
Its significance lies in its structural diversity, with multiple reported configurations documented across various databases. This compound serves as a subject of interest for researchers investigating the influence of transition metal coordination on the electronic and stability profiles of lithium-based oxides.
Key Properties
Cross-validated computational properties for Li2Fe3WO8, 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.
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.
Reported Structures
Lowest-energy structures reported for Li2Fe3WO8, 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. |
|---|---|---|---|---|---|
| Cmc21 (No. 36) | orthorhombic | 1.29 | 0.0303 | -7.808 | 5.28 |
| C2 (No. 5) | monoclinic | 0.95 | 0.0510 | -7.787 | 5.11 |
| P1 (No. 1) | triclinic | 1.04 | 0.0552 | -7.783 | 5.17 |
| Cc (No. 9) | monoclinic | 1.63 | 0.0586 | -7.780 | 5.58 |
| R-3m (No. 166) | trigonal | 0.00 | 0.0845 | -7.754 | 5.12 |
| R-3m (No. 166) | Trigonal | — | — | — | 5.12 |
| R-3m (No. 166) | Trigonal | — | — | — | 5.65 |
| R-3m (No. 166) | — | — | — | — | — |
| R-3m (No. 166) | Trigonal | — | — | — | 5.33 |
Applications
Where Li2Fe3WO8 is used.
Frequently Asked Questions
Common questions about Li2Fe3WO8, answered from cross-validated data.
What is Li2Fe3WO8?
Li2Fe3WO8 is a metastable semiconducting quaternary oxide composed of lithium, iron, tungsten, and oxygen.
What is Li2Fe3WO8 used for?
What is the band gap of Li2Fe3WO8?
Is Li2Fe3WO8 a metal, semiconductor, or insulator?
Is Li2Fe3WO8 thermodynamically stable?
What is the crystal structure of Li2Fe3WO8?
What is the density of Li2Fe3WO8?
How many polymorphs of Li2Fe3WO8 are known?
What elements does Li2Fe3WO8 contain?
Where does the data for Li2Fe3WO8 come from?
How It Compares
As a metastable semiconducting oxide, Li2Fe3WO8 occupies a specialized niche in the landscape of lithium-transition metal-tungsten materials. While it lacks direct structural siblings in this specific grouping, it serves as a critical case study for understanding how metastable phases can be stabilized and utilized in functional applications compared to more common, thermodynamically stable oxide counterparts.
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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