CeCuGeH
CeCuGeH is a stable semiconducting quaternary hydride containing cerium, copper, germanium, and hydrogen.
About CeCuGeH
CeCuGeH is a quaternary hydride compound composed of cerium, copper, germanium, and hydrogen. As a thermodynamically stable material residing on the convex hull, it represents a well-defined structural configuration within its chemical system.
The electronic character of this compound is defined as semiconducting. This property makes it a subject of interest for researchers investigating the interplay between rare-earth magnetism and semiconducting behavior in complex hydride frameworks.
Key Properties
Cross-validated computational properties for CeCuGeH, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of CeCuGeH. Tight agreement means computed properties can be trusted without re-running calculations.
Only 1 independent DFT source (materials_project) reports a hull energy for CeCuGeH, so cross-source agreement can't be assessed yet.
Reported Structures
Lowest-energy structures reported for CeCuGeH, 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-3m1 (No. 164) | trigonal | 0.20 | 0.0000 | -5.121 | 7.45 |
| Pnma (No. 62) | orthorhombic | — | — | — | 7.39 |
| P63/mmc (No. 194) | hexagonal | — | — | — | 7.10 |
Applications
Where CeCuGeH is used.
Frequently Asked Questions
Common questions about CeCuGeH, answered from cross-validated data.
What is CeCuGeH?
CeCuGeH is a stable semiconducting quaternary hydride containing cerium, copper, germanium, and hydrogen.
What is CeCuGeH used for?
What is the band gap of CeCuGeH?
Is CeCuGeH a metal, semiconductor, or insulator?
Is CeCuGeH thermodynamically stable?
What is the crystal structure of CeCuGeH?
What is the density of CeCuGeH?
How many polymorphs of CeCuGeH are known?
What elements does CeCuGeH contain?
Where does the data for CeCuGeH come from?
How It Compares
As a unique quaternary hydride, CeCuGeH occupies a distinct position in materials science research. While many related hydride systems are explored for hydrogen storage or superconductivity, this specific composition stands out for its inherent thermodynamic stability and semiconducting nature, serving as a foundational example for the synthesis of complex metal-hydrogen frameworks.
Data sources & attribution
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- alexandria — Data from Alexandria. Cite: Schmidt et al., npj Comput. Mater. 10, 200 (2024). (CC-BY-4.0)
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
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