Li2V3CrO8
Li2V3CrO8 is a semiconducting lithium-based transition metal oxide that is theoretically stable enough to be synthesized for research purposes.
About Li2V3CrO8
Li2V3CrO8 is a complex oxide containing lithium, vanadium, and chromium. Its electronic structure characterizes it as a semiconductor, making it a candidate for investigation in materials science applications where tunable electrical properties are required.
As a near-hull stable material, it is considered a promising target for experimental synthesis. The existence of multiple reported structural configurations suggests a flexible lattice capable of accommodating various atomic arrangements, which is vital for developing high-performance functional materials.
Key Properties
Cross-validated computational properties for Li2V3CrO8, 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 Li2V3CrO8, 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/c (No. 15) | monoclinic | 1.11 | 0.0035 | -8.223 | 3.83 |
| C2/m (No. 12) | monoclinic | 0.92 | 0.0037 | -8.223 | 3.83 |
| C2/c (No. 15) | monoclinic | 1.12 | 0.0070 | -8.220 | 3.83 |
| P21 (No. 4) | monoclinic | 1.11 | 0.0102 | -8.217 | 3.84 |
| Cc (No. 9) | monoclinic | 1.13 | 0.0282 | -8.199 | 3.97 |
| R-3m (No. 166) | trigonal | 0.00 | 0.0345 | -8.192 | 3.90 |
| P-1 (No. 2) | triclinic | 1.02 | 0.0630 | -8.164 | 3.81 |
| Cm (No. 8) | monoclinic | 1.46 | 0.0723 | -8.155 | 3.77 |
| P-1 (No. 2) | triclinic | 0.67 | 0.0840 | -8.143 | 3.81 |
| C2/m (No. 12) | monoclinic | 0.12 | 0.1125 | -8.114 | 3.92 |
| C2/c (No. 15) | Monoclinic | — | — | — | 4.21 |
| Cm (No. 8) | Monoclinic | — | — | — | 3.96 |
Applications
Where Li2V3CrO8 is used.
Frequently Asked Questions
Common questions about Li2V3CrO8, answered from cross-validated data.
What is Li2V3CrO8?
Li2V3CrO8 is a semiconducting lithium-based transition metal oxide that is theoretically stable enough to be synthesized for research purposes.
What is Li2V3CrO8 used for?
What is the band gap of Li2V3CrO8?
Is Li2V3CrO8 a metal, semiconductor, or insulator?
Is Li2V3CrO8 thermodynamically stable?
What is the crystal structure of Li2V3CrO8?
What is the density of Li2V3CrO8?
How many polymorphs of Li2V3CrO8 are known?
What elements does Li2V3CrO8 contain?
Where does the data for Li2V3CrO8 come from?
How It Compares
As a unique multi-metal oxide, Li2V3CrO8 occupies a specialized niche in materials research. Without direct structural siblings in this specific class, it serves as a distinct example of how integrating transition metals like vanadium and chromium into a lithium-based framework can create stable, semiconducting architectures.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
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