Cr3CuLi2O8
Cr3CuLi2O8 is a metastable semiconducting oxide composed of chromium, copper, and lithium that is studied for its complex structural characteristics.
About Cr3CuLi2O8
Cr3CuLi2O8 is a complex quaternary oxide composed of chromium, copper, lithium, and oxygen. As a semiconducting material, it represents a unique arrangement of transition metals and alkali ions within an oxygen framework, offering an intriguing subject for solid-state chemistry research.
Because this compound is classified as metastable, it exists in a delicate energetic state that requires precise synthesis conditions to stabilize. Its structural complexity is highlighted by its presence across multiple independent materials databases, marking it as a compound of significant interest for those studying unconventional oxide phases.
Key Properties
Cross-validated computational properties for Cr3CuLi2O8, 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 Cr3CuLi2O8, 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 | 0.18 | 0.0563 | -7.429 | 4.10 |
| C2 (No. 5) | monoclinic | 0.55 | 0.0594 | -7.426 | 4.14 |
| P21 (No. 4) | monoclinic | 0.55 | 0.0614 | -7.424 | 4.14 |
| R-3m (No. 166) | trigonal | 0.00 | 0.0663 | -7.419 | 4.11 |
| Cc (No. 9) | monoclinic | 0.21 | 0.0837 | -7.402 | 4.24 |
| R3m (No. 160) | trigonal | 0.00 | 0.0922 | -7.393 | 4.16 |
| P63mc (No. 186) | hexagonal | 0.00 | 0.1096 | -7.376 | 4.31 |
| — | — | — | — | — | 3.16 |
| R3m (No. 160) | — | — | — | — | — |
Frequently Asked Questions
Common questions about Cr3CuLi2O8, answered from cross-validated data.
What is Cr3CuLi2O8?
Cr3CuLi2O8 is a metastable semiconducting oxide composed of chromium, copper, and lithium that is studied for its complex structural characteristics.
What is the band gap of Cr3CuLi2O8?
Is Cr3CuLi2O8 a metal, semiconductor, or insulator?
Is Cr3CuLi2O8 thermodynamically stable?
What is the crystal structure of Cr3CuLi2O8?
What is the density of Cr3CuLi2O8?
How many polymorphs of Cr3CuLi2O8 are known?
What elements does Cr3CuLi2O8 contain?
Where does the data for Cr3CuLi2O8 come from?
How It Compares
As a unique quaternary oxide, Cr3CuLi2O8 serves as a distinct example of how lithium and transition metal combinations can form complex, metastable semiconducting lattices. While it lacks direct structural siblings in this specific grouping, it represents the broader class of multi-component oxides that challenge conventional stability models through their intricate atomic arrangements.
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).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
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