Cu4La8O16
Cu4La8O16 has a DFT band gap of 0.06 eV across 9 reported structures in 4 space groups; its lowest-energy polymorph is tetragonal (I4/mmm (No. 139)). Cross-validated across 2 computational databases.
At a glance
Key Properties
Cross-validated computational properties for Cu4La8O16, 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.
0.06 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.
9
2 databases, 4 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Cu4La8O16, 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. |
|---|---|---|---|---|---|
| I4/mmm (No. 139) | tetragonal | 0.00 | 0.0000 | -7.865 | 6.72 |
| Cmce (No. 64) | orthorhombic | 0.00 | 0.0579 | -7.807 | 6.92 |
| Cmce (No. 64) | orthorhombic | 0.00 | 0.0698 | -7.796 | 7.03 |
| Fmm2 (No. 42) | orthorhombic | 0.00 | 0.0703 | -7.795 | 7.01 |
| I4/mmm (No. 139) | tetragonal | 0.00 | 0.0705 | -7.795 | 7.00 |
| Cmc21 (No. 36) | orthorhombic | 0.06 | 0.0774 | -7.788 | 6.98 |
| Cmce (No. 64) | — | — | — | — | — |
| I4/mmm (No. 139) | — | — | — | — | — |
| Cmce (No. 64) | — | — | — | — | — |
Reference
Frequently Asked Questions
Common questions about Cu4La8O16, answered from cross-validated data.
What is the band gap of Cu4La8O16?
Cu4La8O16 has a DFT-computed band gap of 0.06 eV across 9 reported structures.
More questions
Is Cu4La8O16 a metal, semiconductor, or insulator?
With a near-zero band gap it behaves as a (semi)metal.
Is Cu4La8O16 thermodynamically stable?
Yes — Cu4La8O16 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Cu4La8O16?
The lowest-energy reported polymorph of Cu4La8O16 is tetragonal symmetry, space group I4/mmm (No. 139).
What is the density of Cu4La8O16?
The computed density of the ground-state structure of Cu4La8O16 is 6.72 g/cm³.
How many polymorphs of Cu4La8O16 are known?
9 structures of Cu4La8O16 are reported across 2 databases, spanning 4 distinct space groups.
What elements does Cu4La8O16 contain?
Cu4La8O16 contains Cu, La, and O (3 elements).
Where does the data for Cu4La8O16 come from?
Cu4La8O16 data is cross-referenced from materials_project, aflow.
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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).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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