LaClO2
LaClO2 is a wide-gap insulating oxyhalide compound that exhibits metastable thermodynamic properties.
About LaClO2
LaClO2 is a complex oxyhalide material characterized by its insulating electronic nature. As a wide-gap material, it represents a specific arrangement of lanthanum, chlorine, and oxygen atoms that has been documented across multiple structural databases. Its existence in various configurations highlights the complexity of lanthanum-based halide chemistry. Because it sits above the thermodynamic hull, LaClO2 is considered a metastable compound. This classification suggests that while it can be identified in computational models, it may require specific synthesis conditions or kinetic stabilization to be realized or maintained in a practical laboratory setting.
Key Properties
Cross-validated computational properties for LaClO2, 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 LaClO2, 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 | 3.62 | 0.1628 | -6.784 | 4.69 |
| P2/m (No. 10) | monoclinic | 2.51 | 0.3660 | -6.581 | 4.00 |
| P21/m (No. 11) | Monoclinic | — | — | — | 4.69 |
| P21/m (No. 11) | Monoclinic | — | — | — | 4.83 |
| P21/m (No. 11) | — | — | — | — | — |
| P21/m (No. 11) | Monoclinic | — | — | — | 4.76 |
Frequently Asked Questions
Common questions about LaClO2, answered from cross-validated data.
What is LaClO2?
LaClO2 is a wide-gap insulating oxyhalide compound that exhibits metastable thermodynamic properties.
What is the band gap of LaClO2?
Is LaClO2 a metal, semiconductor, or insulator?
Is LaClO2 thermodynamically stable?
What is the crystal structure of LaClO2?
What is the density of LaClO2?
How many polymorphs of LaClO2 are known?
What elements does LaClO2 contain?
Where does the data for LaClO2 come from?
How It Compares
As a member of the lanthanum oxyhalide family, LaClO2 serves as a unique case study in structural diversity. While many lanthanum-based compounds are favored for their stability, this specific stoichiometry occupies a more precarious position in the energy landscape, reflecting the delicate balance of ionic and covalent interactions inherent to these mixed-anion systems.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
Analyze LaClO2 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →