LaHO2
LaHO2 is a thermodynamically stable, wide-band-gap insulating compound composed of lanthanum, hydrogen, and oxygen.
About LaHO2
LaHO2 is a thermodynamically stable inorganic compound that sits firmly on the convex hull, indicating robust structural integrity. As a wide-band-gap insulator, it possesses electronic characteristics typical of materials that resist electrical conduction, making it a subject of interest for specialized dielectric or optical applications.
With multiple reported structures across various databases, this material is well-documented in computational studies. Its unique composition of lanthanum, hydrogen, and oxygen positions it as a distinct entry in the landscape of complex oxides and hydrides, offering researchers a stable platform for exploring insulating behavior in multicomponent systems.
Key Properties
Cross-validated computational properties for LaHO2, 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.
Reported Structures
Lowest-energy structures reported for LaHO2, 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. |
|---|---|---|---|---|---|
| P21/m (No. 11) | monoclinic | 3.84 | 0.0000 | -7.503 | 5.34 |
| P21/m (No. 11) | — | — | — | — | — |
| P21/m (No. 11) | Monoclinic | — | — | — | 5.38 |
| P21/m (No. 11) | Monoclinic | — | — | — | 5.25 |
| P-1 (No. 2) | Triclinic | — | — | — | 7.16 |
| P21/m (No. 11) | Monoclinic | — | — | — | 5.28 |
| P1 (No. 1) | Triclinic | — | — | — | 4.60 |
| Cm (No. 8) | Monoclinic | — | — | — | 5.09 |
| P-1 (No. 2) | Triclinic | — | — | — | 2.72 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.19 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.36 |
| P4mm (No. 99) | — | — | — | — | — |
Applications
Where LaHO2 is used.
Frequently Asked Questions
Common questions about LaHO2, answered from cross-validated data.
What is LaHO2?
LaHO2 is a thermodynamically stable, wide-band-gap insulating compound composed of lanthanum, hydrogen, and oxygen.
What is LaHO2 used for?
What is the band gap of LaHO2?
Is LaHO2 a metal, semiconductor, or insulator?
Is LaHO2 thermodynamically stable?
What is the crystal structure of LaHO2?
What is the density of LaHO2?
How many polymorphs of LaHO2 are known?
What elements does LaHO2 contain?
Where does the data for LaHO2 come from?
How It Compares
As a thermodynamically stable insulating phase, LaHO2 represents a distinct structural configuration within the broader family of lanthanum-based oxyhydrides, providing a reliable baseline for studying the interplay between heavy metallic cations and light anionic species.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
Analyze LaHO2 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →