Li2Nb2Fe3O10
Li2Nb2Fe3O10 is a metastable semiconducting oxide composed of lithium, niobium, iron, and oxygen.
About Li2Nb2Fe3O10
Li2Nb2Fe3O10 is a complex oxide featuring lithium, niobium, iron, and oxygen. As a semiconducting material, it exhibits electronic properties that make it a subject of interest for fundamental solid-state studies and potential functional applications.
Because it exists in a metastable state, this compound requires precise synthetic control to achieve stable phases. Its structural diversity is highlighted by multiple reported configurations across various databases, reflecting its intricate atomic arrangement.
Key Properties
Cross-validated computational properties for Li2Nb2Fe3O10, 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 Li2Nb2Fe3O10, 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 | 0.12 | 0.0587 | -11.421 | 4.57 |
| P1 (No. 1) | triclinic | 1.55 | 0.0753 | -8.125 | 4.32 |
| P1 (No. 1) | — | — | — | — | — |
| P1 (No. 1) | — | — | — | — | — |
| P1 (No. 1) | Triclinic | — | — | — | 4.75 |
| P1 (No. 1) | Triclinic | — | — | — | 4.32 |
| P1 (No. 1) | Triclinic | — | — | — | 4.56 |
Applications
Where Li2Nb2Fe3O10 is used.
Frequently Asked Questions
Common questions about Li2Nb2Fe3O10, answered from cross-validated data.
What is Li2Nb2Fe3O10?
Li2Nb2Fe3O10 is a metastable semiconducting oxide composed of lithium, niobium, iron, and oxygen.
What is Li2Nb2Fe3O10 used for?
What is the band gap of Li2Nb2Fe3O10?
Is Li2Nb2Fe3O10 a metal, semiconductor, or insulator?
Is Li2Nb2Fe3O10 thermodynamically stable?
What is the crystal structure of Li2Nb2Fe3O10?
What is the density of Li2Nb2Fe3O10?
How many polymorphs of Li2Nb2Fe3O10 are known?
What elements does Li2Nb2Fe3O10 contain?
Where does the data for Li2Nb2Fe3O10 come from?
How It Compares
As a unique complex oxide, Li2Nb2Fe3O10 represents a specialized entry in the broader landscape of lithium-based transition metal oxides. While many similar compounds are explored for electrochemical storage, this specific stoichiometry offers a distinct structural framework that differentiates it from more common, highly stable battery materials.
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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