ClH2HoO2
ClH2HoO2 is a thermodynamically stable, insulating holmium-based compound containing chlorine, hydrogen, and oxygen.
About ClH2HoO2
ClH2HoO2 is a rare-earth-based compound characterized by its insulating electronic nature and high thermodynamic stability. As a member of the holmium halide hydroxide family, it maintains a robust structural arrangement that positions it on the convex hull, indicating significant stability under standard conditions.
This material serves as an important subject for understanding the coordination chemistry of lanthanide centers in the presence of mixed anionic environments. Its wide-band-gap nature makes it a compelling candidate for specialized optical or electronic applications where insulating behavior is required.
Key Properties
Cross-validated computational properties for ClH2HoO2, 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 ClH2HoO2. 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 ClH2HoO2 is used.
Frequently Asked Questions
Common questions about ClH2HoO2, answered from cross-validated data.
What is ClH2HoO2?
ClH2HoO2 is a thermodynamically stable, insulating holmium-based compound containing chlorine, hydrogen, and oxygen.
What is ClH2HoO2 used for?
What is the band gap of ClH2HoO2?
Is ClH2HoO2 a metal, semiconductor, or insulator?
Is ClH2HoO2 thermodynamically stable?
How many polymorphs of ClH2HoO2 are known?
What elements does ClH2HoO2 contain?
Where does the data for ClH2HoO2 come from?
How It Compares
As a distinct holmium-based halide hydroxide, this compound represents a stable structural configuration within its chemical class, serving as a foundational reference point for studying the behavior of rare-earth elements in complex, multi-anion lattices.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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