Li4NbFe5O12
Li4NbFe5O12 is a semiconducting oxide of lithium, niobium, and iron that is currently the subject of structural investigation in materials science.
About Li4NbFe5O12
Li4NbFe5O12 is a complex oxide composed of lithium, niobium, iron, and oxygen. As a semiconducting material, it represents an intricate arrangement of transition metals within an oxygen framework, drawing interest for its potential electronic behavior and structural complexity.
While the compound is currently identified as being above the thermodynamic hull, its existence in multiple structural databases highlights its significance in fundamental materials research. Understanding such metastable phases is vital for exploring new pathways in solid-state chemistry and materials design.
Key Properties
Cross-validated computational properties for Li4NbFe5O12, 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 Li4NbFe5O12, 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. |
|---|---|---|---|---|---|
| C2/m (No. 12) | monoclinic | 0.53 | 0.1051 | -7.443 | 3.91 |
| C2/m (No. 12) | — | — | — | — | — |
| C2/m (No. 12) | Monoclinic | — | — | — | 3.91 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.16 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.03 |
Applications
Where Li4NbFe5O12 is used.
Frequently Asked Questions
Common questions about Li4NbFe5O12, answered from cross-validated data.
What is Li4NbFe5O12?
Li4NbFe5O12 is a semiconducting oxide of lithium, niobium, and iron that is currently the subject of structural investigation in materials science.
What is Li4NbFe5O12 used for?
What is the band gap of Li4NbFe5O12?
Is Li4NbFe5O12 a metal, semiconductor, or insulator?
Is Li4NbFe5O12 thermodynamically stable?
What is the crystal structure of Li4NbFe5O12?
What is the density of Li4NbFe5O12?
How many polymorphs of Li4NbFe5O12 are known?
What elements does Li4NbFe5O12 contain?
Where does the data for Li4NbFe5O12 come from?
How It Compares
As a unique complex oxide, Li4NbFe5O12 serves as an important case study in the exploration of multi-component lithium-based systems, providing researchers with insights into how niobium and iron interactions influence the stability and electronic properties of these lattices.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
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