LaHO
lanthanum hydroxide oxide · lanthanum oxyhydride
LaHO is a thermodynamically stable, wide-gap insulating compound composed of lanthanum, oxygen, and hydrogen.
About lanthanum hydroxide oxide
LaHO is a distinct inorganic compound composed of lanthanum, hydrogen, and oxygen. As a thermodynamically stable phase residing on the convex hull, it represents a robust structural arrangement within its chemical system. Its insulating electronic character and wide-gap nature make it a subject of interest for fundamental materials research. The material has demonstrated significant structural diversity, with numerous reported configurations across various databases, highlighting its complex coordination chemistry. This versatility allows it to serve as a model system for understanding the interplay between rare-earth cations and light anions in solid-state lattices.
Key Properties
Cross-validated computational properties for lanthanum hydroxide oxide, 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 LaHO. 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.
Reported Structures
Lowest-energy structures reported for LaHO, 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. |
|---|---|---|---|---|---|
| R-3m (No. 166) | trigonal | 3.15 | 0.0000 | -2.407 | — |
| — | — | 2.48 | 0.0000 | -2.365 | — |
| P4/nmm (No. 129) | tetragonal | 2.38 | 0.0106 | -2.397 | — |
| P4/nmm (No. 129) | tetragonal | 2.43 | 0.0133 | -6.877 | 5.59 |
| P4/nmm (No. 129) | tetragonal | — | — | — | 5.55 |
| P4/nmm (No. 129) | tetragonal | — | — | — | 5.61 |
| P4/nmm (No. 129) | tetragonal | — | — | — | 5.59 |
Applications
Where lanthanum hydroxide oxide is used.
Frequently Asked Questions
Common questions about lanthanum hydroxide oxide, answered from cross-validated data.
What is LaHO?
LaHO is a thermodynamically stable, wide-gap insulating compound composed of lanthanum, oxygen, and hydrogen.
What is LaHO used for?
What is the band gap of LaHO?
Is LaHO a metal, semiconductor, or insulator?
Is LaHO thermodynamically stable?
What is the crystal structure of LaHO?
How many polymorphs of LaHO are known?
What elements does LaHO contain?
Where does the data for LaHO come from?
How It Compares
As a unique oxyhydride, LaHO occupies a specialized niche in materials science, serving as a primary reference point for studying the stability of lanthanum-based compounds containing both oxygen and hydrogen anions.
Data sources & attribution
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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