CrLiO10TiV2
CrLiO10TiV2 is a metastable, semiconducting oxide composed of lithium, chromium, titanium, and vanadium.
About CrLiO10TiV2
CrLiO10TiV2 is a complex multicomponent oxide featuring a diverse arrangement of transition metals and lithium. As a semiconducting material, it exhibits electronic properties that make it a subject of interest for fundamental studies into how elemental composition influences charge transport in disordered or synthetic oxide lattices.
Because this compound resides above the thermodynamic hull, it is considered a metastable phase. Its existence across multiple reported structures suggests that while it may not represent the global energy minimum, it can be stabilized under specific experimental conditions, providing valuable insights into the synthesis of complex oxide frameworks.
Key Properties
Cross-validated computational properties for CrLiO10TiV2, 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 CrLiO10TiV2, 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 | 0.61 | 0.1112 | -8.183 | 2.88 |
| P-4m2 (No. 115) | tetragonal | 1.06 | 0.1392 | -8.155 | 2.69 |
| Pm (No. 6) | monoclinic | 0.53 | 0.1565 | -8.137 | 2.64 |
| P-4m2 (No. 115) | tetragonal | 0.17 | 0.1580 | -8.136 | 2.71 |
| — | — | — | — | — | 3.00 |
| — | — | — | — | — | 2.92 |
| — | — | — | — | — | 2.93 |
| — | — | — | — | — | 2.10 |
| — | — | — | — | — | 2.10 |
| — | — | — | — | — | 2.06 |
| — | — | — | — | — | 2.69 |
| — | — | — | — | — | — |
Applications
Where CrLiO10TiV2 is used.
Frequently Asked Questions
Common questions about CrLiO10TiV2, answered from cross-validated data.
What is CrLiO10TiV2?
CrLiO10TiV2 is a metastable, semiconducting oxide composed of lithium, chromium, titanium, and vanadium.
What is CrLiO10TiV2 used for?
What is the band gap of CrLiO10TiV2?
Is CrLiO10TiV2 a metal, semiconductor, or insulator?
Is CrLiO10TiV2 thermodynamically stable?
What is the crystal structure of CrLiO10TiV2?
What is the density of CrLiO10TiV2?
How many polymorphs of CrLiO10TiV2 are known?
What elements does CrLiO10TiV2 contain?
Where does the data for CrLiO10TiV2 come from?
How It Compares
As a unique multicomponent oxide, CrLiO10TiV2 serves as a specialized case study within the broader landscape of lithium-transition metal oxides. Unlike more common, thermodynamically stable battery materials, this compound highlights the challenges and opportunities in synthesizing metastable phases with complex stoichiometry.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- alexandria — Data from alexandria.
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