LaClO
Lanthanum chloride oxide · Lanthanum oxychloride
Lanthanum oxychloride is an inorganic compound that typically appears as a white crystalline solid. It is primarily utilized as a host material for phosphors in lighting and display technologies due to its stable crystal structure.
ClLaO
Overview
Key Properties
Cross-validated computational properties for Lanthanum chloride oxide, aggregated across 4 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.
4.07 eV
Range across DFT structures
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.
0.000 eV/atom
Best (lowest) across sources
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.
On hull (stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
11
4 databases, 4 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for LaClO, 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. |
|---|---|---|---|---|---|
| P4/nmm (No. 129) | tetragonal | 4.07 | 0.0000 | -7.515 | 5.39 |
| Pnma (No. 62) | orthorhombic | 0.00 | 0.7345 | -4.704 | 4.35 |
| P-62m (No. 189) | hexagonal | 0.00 | 1.2243 | -4.214 | 4.19 |
| No. 0 | unknown | — | — | — | 2.71 |
| P4/nmm (No. 129) | Tetragonal | — | — | — | 5.32 |
| P4/nmm (No. 129) | Tetragonal | — | — | — | 5.42 |
| P4/nmm (No. 129) | Tetragonal | — | — | — | 5.37 |
| No. 0 | unknown | — | — | — | 1.75 |
| P4/nmm (No. 129) | — | — | — | — | — |
| P4/nmm (No. 129) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 2.71 |
Uses
Applications
Where Lanthanum chloride oxide is used.
Phosphor host materialsX-ray imaging screensLuminescent materialsCatalyst precursors
Reference
Frequently Asked Questions
Common questions about Lanthanum chloride oxide, answered from cross-validated data.
What is LaClO?
Lanthanum oxychloride is an inorganic compound that typically appears as a white crystalline solid. It is primarily utilized as a host material for phosphors in lighting and display technologies due to its stable crystal structure.
More questions
What is LaClO used for?
Lanthanum chloride oxide (LaClO) is used in phosphor host materials, x-ray imaging screens, luminescent materials, and catalyst precursors.
What is the band gap of LaClO?
Lanthanum chloride oxide (LaClO) has a DFT-computed band gap of 4.07 eV across 11 reported structures.
Is LaClO a metal, semiconductor, or insulator?
With a wide band gap up to 4.07 eV it is an insulator / wide-band-gap material.
Is LaClO thermodynamically stable?
Yes — Lanthanum chloride oxide (LaClO) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of LaClO?
The lowest-energy reported polymorph of Lanthanum chloride oxide (LaClO) is tetragonal symmetry, space group P4/nmm (No. 129).
What is the density of LaClO?
The computed density of the ground-state structure of Lanthanum chloride oxide (LaClO) is 5.39 g/cm³.
How many polymorphs of LaClO are known?
11 structures of LaClO are reported across 4 databases, spanning 4 distinct space groups.
What elements does LaClO contain?
Lanthanum chloride oxide (LaClO) contains Cl, La, and O (3 elements).
Where does the data for LaClO come from?
LaClO data is cross-referenced from materials_project, cod, mpaloe, jarvis.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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