Li6CrO4
Li6CrO4 is a metastable, semiconducting ternary oxide composed of lithium, chromium, and oxygen.
About Li6CrO4
Li6CrO4 is a semiconducting lithium oxide that exists in a metastable state. Its unique structural configuration within the lithium-oxygen-chromium system makes it a subject of interest for researchers studying the phase stability and electrochemical potential of complex ternary oxides.
As a member of the broader lithium oxide class, this compound is studied for its potential interactions within solid-state systems. Its electronic character and structural diversity, evidenced by multiple reported configurations, position it as a specialized material for fundamental investigations into lithium-rich oxide frameworks.
Key Properties
Cross-validated computational properties for Li6CrO4, 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 Li6CrO4, 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. |
|---|---|---|---|---|---|
| P42/nmc (No. 137) | tetragonal | 2.17 | 0.0957 | -5.706 | 2.47 |
| P42/nmc (No. 137) | — | — | — | — | — |
| P42/nmc (No. 137) | Tetragonal | — | — | — | 2.59 |
| P42/nmc (No. 137) | Tetragonal | — | — | — | 2.47 |
| P42/nmc (No. 137) | Tetragonal | — | — | — | 2.61 |
Applications
Where Li6CrO4 is used.
Frequently Asked Questions
Common questions about Li6CrO4, answered from cross-validated data.
What is Li6CrO4?
Li6CrO4 is a metastable, semiconducting ternary oxide composed of lithium, chromium, and oxygen.
What is Li6CrO4 used for?
What is the band gap of Li6CrO4?
Is Li6CrO4 a metal, semiconductor, or insulator?
Is Li6CrO4 thermodynamically stable?
What is the crystal structure of Li6CrO4?
What is the density of Li6CrO4?
How many polymorphs of Li6CrO4 are known?
What elements does Li6CrO4 contain?
Where does the data for Li6CrO4 come from?
How It Compares
Within the lithium oxides class.
Within the extensive class of lithium oxides, Li6CrO4 is distinct from high-performance cathode materials like LiCoO2 or LiMn2O4 due to its metastable nature and specific stoichiometry. While compounds such as Li2O serve as fundamental building blocks or electrolytes, Li6CrO4 represents a more niche, complex oxide that lacks the widespread commercial adoption of its more stable, commercially optimized siblings.
Related Compounds
Other Lithium Oxides in the database.
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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