LaNiO3
Lanthanum nickelate · LNO
Lanthanum nickelate is a metallic perovskite oxide known for its unique electrical and magnetic properties. It is primarily utilized in research settings as a conductive electrode material and as a catalyst for various electrochemical processes.
Overview
Key Properties
Cross-validated computational properties for Lanthanum nickelate, 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.
0.36 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)
3 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
19
4 databases, 5 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for LaNiO3, 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. |
|---|---|---|---|---|---|
| C2/c (No. 15) | monoclinic | 0.00 | 0.0000 | -7.584 | 7.24 |
| R-3c (No. 167) | trigonal | 0.00 | 0.0007 | -7.584 | 7.25 |
| P-1 (No. 2) | triclinic | 0.36 | 0.0206 | -7.564 | 7.00 |
| Pm-3m (No. 221) | cubic | 0.00 | 0.0359 | -7.549 | 7.11 |
| Cmmm (No. 65) | orthorhombic | 0.00 | 0.0443 | -7.540 | 7.08 |
| R-3c (No. 167) | — | — | — | — | — |
| Pm-3m (No. 221) | Cubic | — | — | — | 7.40 |
| Pm-3m (No. 221) | Cubic | — | — | — | 7.11 |
| Pm-3m (No. 221) | Cubic | — | — | — | 7.71 |
| — | — | — | — | — | 7.12 |
| — | — | — | — | — | 4.34 |
| R-3c (No. 167) | — | — | — | — | — |
Synthesis
Synthesis Routes
Literature-extracted synthesis procedures targeting LaNiO3.
Sol-Gel
Procedure available · ceder_solid_state
Sol-Gel
Procedure available · ceder_solid_state
Sol-Gel
Procedure available · ceder_solid_state
Sol-Gel
Procedure available · ceder_solid_state
Sol-Gel
Procedure available · ceder_solid_state
Sol-Gel
Procedure available · ceder_solid_state
Uses
Applications
Where Lanthanum nickelate is used.
Electrode material for thin-film devicesSolid oxide fuel cell componentsCatalysis for oxygen evolution reactionsResearch in correlated electron systems
Reference
Frequently Asked Questions
Common questions about Lanthanum nickelate, answered from cross-validated data.
What is LaNiO3?
Lanthanum nickelate is a metallic perovskite oxide known for its unique electrical and magnetic properties. It is primarily utilized in research settings as a conductive electrode material and as a catalyst for various electrochemical processes.
More questions
What is LaNiO3 used for?
Lanthanum nickelate (LaNiO3) is used in electrode material for thin-film devices, solid oxide fuel cell components, catalysis for oxygen evolution reactions, and research in correlated electron systems.
What is the band gap of LaNiO3?
Lanthanum nickelate (LaNiO3) has a DFT-computed band gap of 0.36 eV across 19 reported structures.
Is LaNiO3 a metal, semiconductor, or insulator?
With a band gap up to 0.36 eV it is a semiconductor.
Is LaNiO3 thermodynamically stable?
Yes — Lanthanum nickelate (LaNiO3) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of LaNiO3?
The lowest-energy reported polymorph of Lanthanum nickelate (LaNiO3) is monoclinic symmetry, space group C2/c (No. 15).
What is the density of LaNiO3?
The computed density of the ground-state structure of Lanthanum nickelate (LaNiO3) is 7.24 g/cm³.
How many polymorphs of LaNiO3 are known?
19 structures of LaNiO3 are reported across 4 databases, spanning 5 distinct space groups.
How is LaNiO3 synthesized?
Literature-reported routes for LaNiO3 include sol-gel (10 procedures documented).
What elements does LaNiO3 contain?
Lanthanum nickelate (LaNiO3) contains La, Ni, and O (3 elements).
Where does the data for LaNiO3 come from?
LaNiO3 data is cross-referenced from materials_project, jarvis, mpaloe, omat24.
Explore
Related Compounds
Other Oxide Oxygen-Evolution Catalysts in the database.
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.
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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