Ce2Hf2O8
Ce2Hf2O8 is a metastable semiconducting oxide containing cerium and hafnium used in advanced materials research.
About Ce2Hf2O8
Ce2Hf2O8 is a complex oxide composed of cerium, hafnium, and oxygen. As a semiconducting material, it represents a unique intersection of rare-earth and transition metal chemistry, offering distinct electronic properties that are of interest for specialized functional applications.
This compound is characterized as a metastable phase, which highlights the intricate synthesis pathways required to stabilize its structure. Its existence across multiple reported structural configurations underscores its significance as a subject of ongoing investigation in materials science.
Key Properties
Cross-validated computational properties for Ce2Hf2O8, 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 Ce2Hf2O8, 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. |
|---|---|---|---|---|---|
| P21/c (No. 14) | monoclinic | 1.81 | 0.0474 | -9.874 | 7.95 |
| C2/c (No. 15) | monoclinic | 1.93 | 0.0557 | -9.865 | 8.11 |
| I41/a (No. 88) | tetragonal | 1.80 | 0.0712 | -9.850 | 8.28 |
| Pmn21 (No. 31) | orthorhombic | 1.57 | 0.0898 | -9.831 | 8.64 |
| P213 (No. 198) | cubic | 1.57 | 0.0905 | -9.831 | 8.64 |
| — | — | — | — | — | 8.13 |
| — | — | — | — | — | 7.85 |
| — | — | — | — | — | 6.52 |
| I41/amd (No. 141) | — | — | — | — | — |
| I41/a (No. 88) | — | — | — | — | — |
| P2/c (No. 13) | — | — | — | — | — |
| P2/c (No. 13) | — | — | — | — | — |
Applications
Where Ce2Hf2O8 is used.
Frequently Asked Questions
Common questions about Ce2Hf2O8, answered from cross-validated data.
What is Ce2Hf2O8?
Ce2Hf2O8 is a metastable semiconducting oxide containing cerium and hafnium used in advanced materials research.
What is Ce2Hf2O8 used for?
What is the band gap of Ce2Hf2O8?
Is Ce2Hf2O8 a metal, semiconductor, or insulator?
Is Ce2Hf2O8 thermodynamically stable?
What is the crystal structure of Ce2Hf2O8?
What is the density of Ce2Hf2O8?
How many polymorphs of Ce2Hf2O8 are known?
What elements does Ce2Hf2O8 contain?
Where does the data for Ce2Hf2O8 come from?
How It Compares
As a metastable oxide, Ce2Hf2O8 occupies a specialized niche within the broader landscape of complex metal oxides. Its semiconducting nature distinguishes it from more common insulating ceramic oxides, positioning it as a candidate for research into tunable electronic materials.
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).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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