Fe2Li2O7Si2
Fe2Li2O7Si2 is a metastable, insulating iron-lithium silicate used primarily in fundamental materials research.
About Fe2Li2O7Si2
Fe2Li2O7Si2 is a complex silicate compound containing iron and lithium. It functions as a wide-band-gap insulator, characterized by its electronic structure that resists electrical conduction under standard conditions.
As a metastable phase, this material is of significant interest in solid-state chemistry for understanding structural transformations. It represents a niche composition within the broader family of lithium-iron silicates, which are frequently investigated for their role in advanced electrochemical and ceramic systems.
Key Properties
Cross-validated computational properties for Fe2Li2O7Si2, 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 Fe2Li2O7Si2, 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. |
|---|---|---|---|---|---|
| Ama2 (No. 40) | orthorhombic | 3.27 | 0.0454 | -7.625 | 3.40 |
| P21/c (No. 14) | monoclinic | 3.09 | 0.0512 | -7.619 | 3.15 |
| Ama2 (No. 40) | orthorhombic | 2.88 | 0.0871 | -7.583 | 3.04 |
| P-1 (No. 2) | triclinic | 3.48 | 0.0911 | -7.579 | 2.40 |
| P-3 (No. 147) | trigonal | 3.10 | 0.0914 | -7.579 | 2.41 |
| — | — | — | — | — | 2.83 |
| — | — | — | — | — | — |
Applications
Where Fe2Li2O7Si2 is used.
Frequently Asked Questions
Common questions about Fe2Li2O7Si2, answered from cross-validated data.
What is Fe2Li2O7Si2?
Fe2Li2O7Si2 is a metastable, insulating iron-lithium silicate used primarily in fundamental materials research.
What is Fe2Li2O7Si2 used for?
What is the band gap of Fe2Li2O7Si2?
Is Fe2Li2O7Si2 a metal, semiconductor, or insulator?
Is Fe2Li2O7Si2 thermodynamically stable?
What is the crystal structure of Fe2Li2O7Si2?
What is the density of Fe2Li2O7Si2?
How many polymorphs of Fe2Li2O7Si2 are known?
What elements does Fe2Li2O7Si2 contain?
Where does the data for Fe2Li2O7Si2 come from?
How It Compares
As a unique composition in the landscape of lithium-iron silicates, this compound serves as a critical reference point for studying structural metastability. While many related silicates are explored for their long-term stability, this material provides a distinct case study in how specific atomic arrangements influence the insulating behavior of iron-based frameworks.
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).
- alexandria — Data from alexandria.
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