CaHN
CaHN is a stable, semiconducting ternary hydride material investigated for its potential utility in solid-state hydrogen storage technologies.
About CaHN
CaHN is a semiconducting ternary hydride that exists as a thermodynamically stable phase on the convex hull. Its unique composition of calcium, hydrogen, and nitrogen positions it as a specialized candidate for solid-state hydrogen storage applications, where structural stability is a critical requirement for reversible cycling.
As a member of the broader class of hydrogen storage hydrides, this compound is subject to significant interest due to its structural diversity, with multiple reported configurations across crystallographic databases. Its electronic character and stable nature make it a compelling subject for researchers aiming to optimize hydrogen density and release kinetics in next-generation energy systems.
Key Properties
Cross-validated computational properties for CaHN, 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.
Applications
Where CaHN is used.
Frequently Asked Questions
Common questions about CaHN, answered from cross-validated data.
What is CaHN?
CaHN is a stable, semiconducting ternary hydride material investigated for its potential utility in solid-state hydrogen storage technologies.
What is CaHN used for?
What is the band gap of CaHN?
Is CaHN a metal, semiconductor, or insulator?
Is CaHN thermodynamically stable?
How many polymorphs of CaHN are known?
What elements does CaHN contain?
Where does the data for CaHN come from?
How It Compares
Within the hydrogen storage hydrides class.
Within the class of hydrogen storage hydrides, CaHN occupies a distinct niche compared to binary counterparts like CaH2 or LiH. While binary hydrides are often the primary focus for weight-efficient storage, CaHN introduces nitrogen into the lattice, offering a different chemical environment that can influence the thermodynamic pathways of hydrogen desorption compared to simpler systems like MgH2 or AlH3.
Related Compounds
Other Hydrogen Storage Hydrides in the database.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
Analyze CaHN in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →