CaHO
CaHO is a thermodynamically stable, wide-band-gap insulating compound composed of calcium, hydrogen, and oxygen.
About CaHO
CaHO is a thermodynamically stable compound that exhibits the characteristics of a wide-band-gap insulator. Its electronic structure suggests high resistance to electrical conduction, making it an interesting candidate for specialized dielectric or insulating applications where stability is paramount. The material is well-documented in structural databases, reflecting a diverse range of possible atomic arrangements that contribute to its overall stability. This structural variety highlights its versatility as a fundamental building block in inorganic chemistry research.
Key Properties
Cross-validated computational properties for CaHO, 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 CaHO. 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.
Frequently Asked Questions
Common questions about CaHO, answered from cross-validated data.
What is CaHO?
CaHO is a thermodynamically stable, wide-band-gap insulating compound composed of calcium, hydrogen, and oxygen.
What is the band gap of CaHO?
Is CaHO a metal, semiconductor, or insulator?
Is CaHO thermodynamically stable?
How many polymorphs of CaHO are known?
What elements does CaHO contain?
Where does the data for CaHO come from?
How It Compares
As a thermodynamically stable phase, CaHO occupies a distinct position in the landscape of calcium-based compounds. Without direct structural siblings in this specific class, it serves as a unique reference point for understanding how the integration of hydrogen and oxygen within a calcium lattice influences electronic insulation and structural robustness.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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