CuO2F
This compound is a copper-based oxyfluoride material studied primarily for its unique structural and electronic properties. It is currently utilized in fundamental materials science research to explore the behavior of transition metal compounds under specific chemical environments.
Key Properties
Cross-validated computational properties for CuO2F, 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 CuO2F, 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. |
|---|---|---|---|---|---|
| C2221 (No. 20) | orthorhombic | 0.78 | 0.0691 | -4.854 | 3.63 |
| Pmn21 (No. 31) | orthorhombic | 0.00 | 0.0885 | -4.834 | 4.38 |
| Imm2 (No. 44) | orthorhombic | 0.00 | 0.1210 | -4.802 | 4.25 |
| C2221 (No. 20) | — | — | — | — | — |
| Pmn21 (No. 31) | — | — | — | — | — |
| Imm2 (No. 44) | — | — | — | — | — |
| C2221 (No. 20) | Orthorhombic | — | — | — | 3.63 |
| C2221 (No. 20) | Orthorhombic | — | — | — | 3.86 |
| C2221 (No. 20) | Orthorhombic | — | — | — | 3.75 |
| Pmn21 (No. 31) | Orthorhombic | — | — | — | 4.38 |
| Imm2 (No. 44) | Orthorhombic | — | — | — | 4.25 |
| Imm2 (No. 44) | Orthorhombic | — | — | — | 4.44 |
Applications
Where CuO2F is used.
Frequently Asked Questions
Common questions about CuO2F, answered from cross-validated data.
What is CuO2F?
This compound is a copper-based oxyfluoride material studied primarily for its unique structural and electronic properties. It is currently utilized in fundamental materials science research to explore the behavior of transition metal compounds under specific chemical environments.
What is CuO2F used for?
What is the band gap of CuO2F?
Is CuO2F a metal, semiconductor, or insulator?
Is CuO2F thermodynamically stable?
What is the crystal structure of CuO2F?
What is the density of CuO2F?
How many polymorphs of CuO2F are known?
What elements does CuO2F contain?
Where does the data for CuO2F come from?
Related Compounds
Other Spinel Oxide Catalysts 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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