Li3Nb2Fe3O10
Li3Nb2Fe3O10 is a metastable, semiconducting quaternary oxide used in fundamental materials research.
About Li3Nb2Fe3O10
Li3Nb2Fe3O10 is a complex oxide featuring iron, lithium, niobium, and oxygen. As a semiconducting material, it exhibits electronic properties that make it a subject of interest for researchers investigating transition metal oxides with specific structural arrangements.
Due to its metastable nature, this compound represents a unique phase within the broader landscape of lithium-containing oxides. It is primarily studied in academic and laboratory settings to understand how its specific atomic configuration influences its semiconducting behavior.
Key Properties
Cross-validated computational properties for Li3Nb2Fe3O10, 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 Li3Nb2Fe3O10, 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. |
|---|---|---|---|---|---|
| P1 (No. 1) | triclinic | 1.63 | 0.0534 | -7.927 | 4.35 |
| P1 (No. 1) | Triclinic | — | — | — | 4.35 |
| P1 (No. 1) | Triclinic | — | — | — | 4.68 |
| P1 (No. 1) | Triclinic | — | — | — | 4.58 |
| P1 (No. 1) | — | — | — | — | — |
| P1 (No. 1) | — | — | — | — | — |
Applications
Where Li3Nb2Fe3O10 is used.
Frequently Asked Questions
Common questions about Li3Nb2Fe3O10, answered from cross-validated data.
What is Li3Nb2Fe3O10?
Li3Nb2Fe3O10 is a metastable, semiconducting quaternary oxide used in fundamental materials research.
What is Li3Nb2Fe3O10 used for?
What is the band gap of Li3Nb2Fe3O10?
Is Li3Nb2Fe3O10 a metal, semiconductor, or insulator?
Is Li3Nb2Fe3O10 thermodynamically stable?
What is the crystal structure of Li3Nb2Fe3O10?
What is the density of Li3Nb2Fe3O10?
How many polymorphs of Li3Nb2Fe3O10 are known?
What elements does Li3Nb2Fe3O10 contain?
Where does the data for Li3Nb2Fe3O10 come from?
How It Compares
As a specialized oxide, Li3Nb2Fe3O10 occupies a distinct niche in materials science. While it lacks direct structural siblings in this context, it serves as a valuable case study for the synthesis and stability of complex, multi-component lithium-iron-niobium systems.
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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