LiVCrO4
LiVCrO4 is a thermodynamically stable, semiconducting quaternary oxide composed of lithium, vanadium, chromium, and oxygen.
About LiVCrO4
LiVCrO4 is a complex quaternary oxide that exhibits semiconducting electronic behavior. As a thermodynamically stable phase located on the convex hull, it represents a robust crystalline arrangement of lithium, vanadium, chromium, and oxygen atoms. Its structural integrity makes it a significant subject for researchers investigating multi-component transition metal oxides. The material's ability to maintain stability across various structural configurations suggests a versatile framework for exploring electronic properties in solid-state chemistry. It is primarily utilized in fundamental materials science research to better understand the interplay between transition metals in oxide lattices.
Key Properties
Cross-validated computational properties for LiVCrO4, 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 LiVCrO4, 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. |
|---|---|---|---|---|---|
| Imma (No. 74) | orthorhombic | 0.00 | 0.0005 | -8.237 | 4.14 |
| P1 (No. 1) | triclinic | 1.38 | 0.0631 | -8.174 | 3.83 |
| Imma (No. 74) | orthorhombic | 0.00 | 0.0793 | -8.158 | 3.99 |
| Imma (No. 74) | orthorhombic | 1.32 | 0.0883 | -8.149 | 3.92 |
| Imma (No. 74) | — | — | — | — | — |
| Imma (No. 74) | Orthorhombic | — | — | — | 4.25 |
| Imma (No. 74) | Orthorhombic | — | — | — | 4.05 |
| Imma (No. 74) | Orthorhombic | — | — | — | 3.88 |
| Imma (No. 74) | — | — | — | — | — |
| Imma (No. 74) | — | — | — | — | — |
| Imma (No. 74) | Orthorhombic | — | — | — | 4.10 |
| Imma (No. 74) | Orthorhombic | — | — | — | 4.32 |
Applications
Where LiVCrO4 is used.
Frequently Asked Questions
Common questions about LiVCrO4, answered from cross-validated data.
What is LiVCrO4?
LiVCrO4 is a thermodynamically stable, semiconducting quaternary oxide composed of lithium, vanadium, chromium, and oxygen.
What is LiVCrO4 used for?
What is the band gap of LiVCrO4?
Is LiVCrO4 a metal, semiconductor, or insulator?
Is LiVCrO4 thermodynamically stable?
What is the crystal structure of LiVCrO4?
What is the density of LiVCrO4?
How many polymorphs of LiVCrO4 are known?
What elements does LiVCrO4 contain?
Where does the data for LiVCrO4 come from?
How It Compares
As a unique quaternary oxide, LiVCrO4 occupies a specialized niche in materials science. Without direct structural siblings in this specific class, it serves as a primary reference point for studying the synergistic effects of vanadium and chromium within a lithium-based oxide matrix.
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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