Li3V4FeO12
Li3V4FeO12 is a metastable, semiconducting complex oxide containing lithium, vanadium, and iron.
About Li3V4FeO12
Li3V4FeO12 is a complex multimetallic oxide that exhibits semiconducting electronic behavior. As a metastable phase, it represents a unique configuration of lithium, vanadium, iron, and oxygen atoms that requires specific synthesis conditions to stabilize.
This compound is of significant interest in materials science due to its structural complexity, with numerous reported configurations across various databases. Its ability to host multiple transition metals within a single lattice makes it a subject of study for researchers exploring new functional materials.
Key Properties
Cross-validated computational properties for Li3V4FeO12, 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 Li3V4FeO12, 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 (No. 5) | monoclinic | 1.87 | 0.0504 | -7.828 | 3.24 |
| P1 (No. 1) | triclinic | 1.35 | 0.0612 | -7.817 | 3.03 |
| C2 (No. 5) | monoclinic | 0.00 | 0.0654 | -7.813 | 3.01 |
| P1 (No. 1) | triclinic | 1.36 | 0.0742 | -7.804 | 3.94 |
| C2 (No. 5) | — | — | — | — | — |
| P1 (No. 1) | Triclinic | — | — | — | 4.18 |
| C2 (No. 5) | — | — | — | — | — |
| P1 (No. 1) | Triclinic | — | — | — | 3.32 |
| P1 (No. 1) | Triclinic | — | — | — | 4.45 |
| P1 (No. 1) | Triclinic | — | — | — | 3.15 |
| P1 (No. 1) | Triclinic | — | — | — | 3.94 |
| P1 (No. 1) | Triclinic | — | — | — | 3.03 |
Applications
Where Li3V4FeO12 is used.
Frequently Asked Questions
Common questions about Li3V4FeO12, answered from cross-validated data.
What is Li3V4FeO12?
Li3V4FeO12 is a metastable, semiconducting complex oxide containing lithium, vanadium, and iron.
What is Li3V4FeO12 used for?
What is the band gap of Li3V4FeO12?
Is Li3V4FeO12 a metal, semiconductor, or insulator?
Is Li3V4FeO12 thermodynamically stable?
What is the crystal structure of Li3V4FeO12?
What is the density of Li3V4FeO12?
How many polymorphs of Li3V4FeO12 are known?
What elements does Li3V4FeO12 contain?
Where does the data for Li3V4FeO12 come from?
How It Compares
As a unique multimetallic oxide, Li3V4FeO12 serves as an intriguing case study in the field of complex lithium-based transition metal oxides. Without direct structural siblings, it occupies a specialized niche, highlighting the vast landscape of metastable phases that can be accessed through precise chemical tuning.
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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