CeU4O10
CeU4O10 has a DFT band gap of Metallic / not reported across 4 reported structures in 1 space group; its reference structure is monoclinic (C2 (No. 5)). Cross-validated across 2 computational databases.
CeOU
At a glance
Key Properties
Cross-validated computational properties for CeU4O10, 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.
Metallic / not reported
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.
Stable
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
4
2 databases, 1 space group
Validation
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of CeU4O10. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
1.00 / 1.00
Trust tier: medium
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
0.000 eV
EAH spread across sources
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
2
jarvis, materials_project
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Mixed (most: C2 (No. 5))
Crystallography
Reported Structures
Lowest-energy structures reported for CeU4O10, 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. |
|---|---|---|---|---|---|
| R-3m (No. 166) | trigonal | 0.00 | 0.0000 | -3.641 | — |
| C2 (No. 5) | monoclinic | 0.00 | 0.0000 | -31.124 | 10.24 |
| R-3m (No. 166) | trigonal | 0.00 | 0.0043 | -10.519 | 10.40 |
| R-3m (No. 166) | trigonal | — | — | — | 10.30 |
| R-3m (No. 166) | trigonal | — | — | — | 10.40 |
| R-3m (No. 166) | trigonal | — | — | — | 10.24 |
Synthesis
Synthesis Routes
Literature-extracted synthesis procedures targeting CeU4O10.
Sol Gel
Procedure available · ceder_sol_gel
Sol Gel
Procedure available · ceder_sol_gel
Solid State
Procedure available · ceder_solid_state
Reference
Frequently Asked Questions
Common questions about CeU4O10, answered from cross-validated data.
What is the band gap of CeU4O10?
The reported DFT structures of CeU4O10 show no band gap. Standard DFT often misses gaps (especially in transition-metal oxides), so this is not proof the real material is a metal.
More questions
Is CeU4O10 a metal, semiconductor, or insulator?
DFT calculations predict no band gap. Standard DFT can miss gaps, so measurements are needed to confirm metallic behavior.
Is CeU4O10 thermodynamically stable?
Yes — CeU4O10 sits on the convex hull (energy above hull 0 eV/atom), i.e. stable.
What is the crystal structure of CeU4O10?
The reference structure of CeU4O10 is monoclinic symmetry, space group C2 (No. 5).
What is the density of CeU4O10?
The computed density of the ground-state structure of CeU4O10 is 10.24 g/cm³.
How many polymorphs of CeU4O10 are known?
4 structures of CeU4O10 are reported across 2 databases, spanning 1 distinct space group.
How is CeU4O10 synthesized?
Literature-reported routes for CeU4O10 include sol gel, solid state (3 procedures documented).
What elements does CeU4O10 contain?
CeU4O10 contains Ce, O, and U (3 elements).
Where does the data for CeU4O10 come from?
CeU4O10 data is cross-referenced from jarvis, materials_project, mpaloe.
Data sources & attribution
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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