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.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
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?
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
- latticegraph — Lattice Graph Materials Intelligence Platform
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