Li2Fe3TeO8
Li2Fe3TeO8 is a metastable semiconducting oxide containing lithium, iron, tellurium, and oxygen that is studied for its diverse structural properties.
About Li2Fe3TeO8
Li2Fe3TeO8 is a complex quaternary oxide composed of lithium, iron, tellurium, and oxygen. As a semiconducting material, it exhibits unique electronic properties that are of significant interest for fundamental solid-state research and potential functional applications.
Despite its metastable nature, this compound has been identified across multiple structural databases, highlighting its significance in the landscape of synthetic inorganic chemistry. Its ability to adopt various structural configurations makes it a compelling subject for researchers investigating phase stability and electronic behavior in complex oxide systems.
Key Properties
Cross-validated computational properties for Li2Fe3TeO8, 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 Li2Fe3TeO8, 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. |
|---|---|---|---|---|---|
| P2/c (No. 13) | monoclinic | 1.39 | 0.0268 | -6.948 | 4.48 |
| C2/m (No. 12) | monoclinic | 0.85 | 0.0282 | -6.947 | 4.47 |
| P1 (No. 1) | triclinic | 0.67 | 0.0343 | -6.941 | 4.47 |
| P63mc (No. 186) | hexagonal | 0.07 | 0.0422 | -6.933 | 4.66 |
| R-3m (No. 166) | trigonal | 0.00 | 0.0540 | -6.921 | 4.49 |
| P2/c (No. 13) | Monoclinic | — | — | — | 4.66 |
| P3m1 (No. 156) | — | — | — | — | — |
| P1 (No. 1) | Triclinic | — | — | — | 4.95 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.47 |
| P-1 (No. 2) | — | — | — | — | — |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.77 |
| P1 (No. 1) | Triclinic | — | — | — | 4.47 |
Applications
Where Li2Fe3TeO8 is used.
Frequently Asked Questions
Common questions about Li2Fe3TeO8, answered from cross-validated data.
What is Li2Fe3TeO8?
Li2Fe3TeO8 is a metastable semiconducting oxide containing lithium, iron, tellurium, and oxygen that is studied for its diverse structural properties.
What is Li2Fe3TeO8 used for?
What is the band gap of Li2Fe3TeO8?
Is Li2Fe3TeO8 a metal, semiconductor, or insulator?
Is Li2Fe3TeO8 thermodynamically stable?
What is the crystal structure of Li2Fe3TeO8?
What is the density of Li2Fe3TeO8?
How many polymorphs of Li2Fe3TeO8 are known?
What elements does Li2Fe3TeO8 contain?
Where does the data for Li2Fe3TeO8 come from?
How It Compares
As a unique quaternary oxide, Li2Fe3TeO8 occupies a distinct niche in materials science, serving as a representative example of the structural complexity achievable within iron-tellurium-lithium systems. Its metastable character distinguishes it from more common, highly stable oxides, positioning it as a specialized candidate for studies focused on phase transformation and electronic tuning.
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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