Ce4Y2O11
Ce4Y2O11 has a DFT band gap of 1.82 eV across 4 reported structures in 1 space group; its lowest-energy polymorph is tetragonal (P-4m2 (No. 115)). Cross-validated across 2 computational databases.
At a glance
Key Properties
Cross-validated computational properties for Ce4Y2O11, 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.
1.82 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.
0.059 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.
Metastable
1 DFT source
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
4
2 databases, 1 space group
Crystallography
Reported Structures
Lowest-energy structures reported for Ce4Y2O11, 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. |
|---|---|---|---|---|---|
| P-4m2 (No. 115) | tetragonal | 1.82 | 0.0590 | -9.240 | 6.24 |
| P-4m2 (No. 115) | Tetragonal | — | — | — | 6.24 |
| P-4m2 (No. 115) | Tetragonal | — | — | — | 6.52 |
| P-4m2 (No. 115) | Tetragonal | — | — | — | 6.35 |
Reference
Frequently Asked Questions
Common questions about Ce4Y2O11, answered from cross-validated data.
What is the band gap of Ce4Y2O11?
Ce4Y2O11 has a DFT-computed band gap of 1.82 eV across 4 reported structures.
More questions
Is Ce4Y2O11 a metal, semiconductor, or insulator?
With a band gap up to 1.82 eV it is a semiconductor.
Is Ce4Y2O11 thermodynamically stable?
Ce4Y2O11 has a lowest energy above hull of 0.059 eV/atom (metastable).
What is the crystal structure of Ce4Y2O11?
The lowest-energy reported polymorph of Ce4Y2O11 is tetragonal symmetry, space group P-4m2 (No. 115).
What is the density of Ce4Y2O11?
The computed density of the ground-state structure of Ce4Y2O11 is 6.24 g/cm³.
How many polymorphs of Ce4Y2O11 are known?
4 structures of Ce4Y2O11 are reported across 2 databases, spanning 1 distinct space group.
What elements does Ce4Y2O11 contain?
Ce4Y2O11 contains Ce, O, and Y (3 elements).
Where does the data for Ce4Y2O11 come from?
Ce4Y2O11 data is cross-referenced from materials_project, mpaloe.
Explore
Related Compounds
Other Fluorite Oxide-Ion Conductors in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
Analyze Ce4Y2O11 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →