H16La2O14P6

This compound is a hydrated lanthanum phosphate material characterized by its complex crystalline structure involving lanthanum, phosphorus, and oxygen atoms. It is primarily studied in materials science research for its potential role in ion conduction and as a precursor for specialized ceramic materials.

HLaOP
Crystal structure of H16La2O14P6 (triclinic, P-1 (No. 2))
Ground-state structure · Materials Project
Overview

Key Properties

Cross-validated computational properties for H16La2O14P6, aggregated across 3 databases.

Band Gap

4.82 eV
Range across DFT structures

Energy Above Hull

0.067 eV/atom
Best (lowest) across sources

Stability

Metastable
1 DFT source

Structures

3
3 databases, 2 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for H16La2O14P6, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
P-1 (No. 2)triclinic4.820.0673-6.0242.49
P-1 (No. 2)
No. 0unknown1.29
Uses

Applications

Where H16La2O14P6 is used.

Materials science researchSolid-state electrolyte developmentCatalysis studies
Reference

Frequently Asked Questions

Common questions about H16La2O14P6, answered from cross-validated data.

What is H16La2O14P6?

This compound is a hydrated lanthanum phosphate material characterized by its complex crystalline structure involving lanthanum, phosphorus, and oxygen atoms. It is primarily studied in materials science research for its potential role in ion conduction and as a precursor for specialized ceramic materials.

More questions
What is H16La2O14P6 used for?
H16La2O14P6 is used in materials science research, solid-state electrolyte development, and catalysis studies.
What is the band gap of H16La2O14P6?
H16La2O14P6 has a DFT-computed band gap of 4.82 eV across 3 reported structures.
Is H16La2O14P6 a metal, semiconductor, or insulator?
With a wide band gap up to 4.82 eV it is an insulator / wide-band-gap material.
Is H16La2O14P6 thermodynamically stable?
H16La2O14P6 has a lowest energy above hull of 0.067 eV/atom (metastable).
What is the crystal structure of H16La2O14P6?
The lowest-energy reported polymorph of H16La2O14P6 is triclinic symmetry, space group P-1 (No. 2).
What is the density of H16La2O14P6?
The computed density of the ground-state structure of H16La2O14P6 is 2.49 g/cm³.
How many polymorphs of H16La2O14P6 are known?
3 structures of H16La2O14P6 are reported across 3 databases, spanning 2 distinct space groups.
What elements does H16La2O14P6 contain?
H16La2O14P6 contains H, La, O, and P (4 elements).
Where does the data for H16La2O14P6 come from?
H16La2O14P6 data is cross-referenced from materials_project, aflow, cod.
Data sources & attribution
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
  • cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).

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