Cu4O8Y4
Cu4O8Y4 has a DFT band gap of 0.02–2.65 eV across 7 reported structures in 6 space groups; its lowest-energy polymorph is tetragonal (I41/a (No. 88)). Cross-validated across 2 computational databases.
At a glance
Key Properties
Cross-validated computational properties for Cu4O8Y4, aggregated across 2 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.
0.02–2.65 eV
Range across DFT structures
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.
0.000 eV/atom
Best (lowest) across sources
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.
On hull (stable)
1 DFT source
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
7
2 databases, 6 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Cu4O8Y4, 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. |
|---|---|---|---|---|---|
| I41/a (No. 88) | tetragonal | 0.00 | 0.0000 | -6.990 | 7.06 |
| P63/mmc (No. 194) | hexagonal | 2.65 | 0.0003 | -7.839 | 5.00 |
| R-3m (No. 166) | trigonal | 2.64 | 0.0011 | -7.838 | 5.00 |
| Fd-3m (No. 227) | cubic | 0.00 | 0.3002 | -6.689 | 6.29 |
| Cm (No. 8) | monoclinic | 0.02 | 0.6579 | -5.847 | 4.22 |
| C2/m (No. 12) | monoclinic | 0.00 | 0.6924 | -5.813 | 4.15 |
| — | — | — | — | — | 4.04 |
Reference
Frequently Asked Questions
Common questions about Cu4O8Y4, answered from cross-validated data.
What is the band gap of Cu4O8Y4?
Cu4O8Y4 has a DFT-computed band gap of 0.02–2.65 eV across 7 reported structures.
More questions
Is Cu4O8Y4 a metal, semiconductor, or insulator?
With a band gap up to 2.65 eV it is a semiconductor.
Is Cu4O8Y4 thermodynamically stable?
Yes — Cu4O8Y4 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Cu4O8Y4?
The lowest-energy reported polymorph of Cu4O8Y4 is tetragonal symmetry, space group I41/a (No. 88).
What is the density of Cu4O8Y4?
The computed density of the ground-state structure of Cu4O8Y4 is 7.06 g/cm³.
How many polymorphs of Cu4O8Y4 are known?
7 structures of Cu4O8Y4 are reported across 2 databases, spanning 6 distinct space groups.
What elements does Cu4O8Y4 contain?
Cu4O8Y4 contains Cu, O, and Y (3 elements).
Where does the data for Cu4O8Y4 come from?
Cu4O8Y4 data is cross-referenced from materials_project, omat24.
Explore
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).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
Analyze Cu4O8Y4 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →