Li2V3CuO8
Li2V3CuO8 is a metastable semiconducting oxide containing lithium, vanadium, copper, and oxygen.
About Li2V3CuO8
Li2V3CuO8 is a complex quaternary oxide composed of lithium, vanadium, copper, and oxygen. As a semiconducting material, it exhibits electronic properties that make it a subject of interest for fundamental studies in solid-state chemistry and materials science.
Due to its metastable nature, this compound presents unique challenges and opportunities for synthesis and characterization. It has been documented across multiple databases, reflecting its status as a material of interest for researchers investigating complex oxide phase spaces.
Key Properties
Cross-validated computational properties for Li2V3CuO8, 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 Li2V3CuO8, 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. |
|---|---|---|---|---|---|
| P212121 (No. 19) | orthorhombic | 0.71 | 0.0603 | -7.585 | 3.99 |
| P43212 (No. 96) | tetragonal | 0.37 | 0.0712 | -7.574 | 4.00 |
| P43 (No. 78) | tetragonal | 0.61 | 0.0717 | -7.573 | 3.97 |
| R3m (No. 160) | trigonal | 0.00 | 0.0888 | -7.556 | 4.09 |
| R-3m (No. 166) | trigonal | 0.00 | 0.0926 | -7.552 | 4.00 |
| Cc (No. 9) | monoclinic | 0.00 | 0.0977 | -7.547 | 4.05 |
| R-3m (No. 166) | Trigonal | — | — | — | 4.00 |
| R-3m (No. 166) | Trigonal | — | — | — | 4.41 |
| R-3m (No. 166) | Trigonal | — | — | — | 4.23 |
| R3m (No. 160) | Trigonal | — | — | — | 4.42 |
| R3m (No. 160) | — | — | — | — | — |
| R3m (No. 160) | Trigonal | — | — | — | 4.09 |
Frequently Asked Questions
Common questions about Li2V3CuO8, answered from cross-validated data.
What is Li2V3CuO8?
Li2V3CuO8 is a metastable semiconducting oxide containing lithium, vanadium, copper, and oxygen.
What is the band gap of Li2V3CuO8?
Is Li2V3CuO8 a metal, semiconductor, or insulator?
Is Li2V3CuO8 thermodynamically stable?
What is the crystal structure of Li2V3CuO8?
What is the density of Li2V3CuO8?
How many polymorphs of Li2V3CuO8 are known?
What elements does Li2V3CuO8 contain?
Where does the data for Li2V3CuO8 come from?
How It Compares
As a specialized quaternary oxide, Li2V3CuO8 occupies a distinct niche in the landscape of transition metal oxides. Without direct structural siblings in its immediate class, it serves as an important case study for understanding how the integration of lithium and copper into a vanadium-oxygen framework influences electronic behavior and structural stability.
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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