La2CuO4
Lanthanum copper oxide · LCO
Lanthanum copper oxide is a ceramic material known for its layered crystal structure. It is widely studied in condensed matter physics as a parent compound for high-temperature superconductors.
Overview
Key Properties
Cross-validated computational properties for Lanthanum copper oxide, 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.
0.06 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.
20
3 databases, 4 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for La2CuO4, 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. |
|---|---|---|---|---|---|
| I4/mmm (No. 139) | tetragonal | 0.00 | 0.0000 | -7.865 | 6.72 |
| Cmce (No. 64) | orthorhombic | 0.00 | 0.0579 | -7.807 | 6.92 |
| Cmce (No. 64) | orthorhombic | 0.00 | 0.0698 | -7.796 | 7.03 |
| Fmm2 (No. 42) | orthorhombic | 0.00 | 0.0703 | -7.795 | 7.01 |
| I4/mmm (No. 139) | tetragonal | 0.00 | 0.0705 | -7.795 | 7.00 |
| Cmc21 (No. 36) | orthorhombic | 0.06 | 0.0774 | -7.788 | 6.98 |
| Cmce (No. 64) | Orthorhombic | — | — | — | 7.05 |
| I4/mmm (No. 139) | Tetragonal | — | — | — | 6.73 |
| I4/mmm (No. 139) | Tetragonal | — | — | — | 6.63 |
| I4/mmm (No. 139) | Tetragonal | — | — | — | 7.29 |
| I4/mmm (No. 139) | — | — | — | — | — |
| Cmce (No. 64) | — | — | — | — | — |
Synthesis
Synthesis Routes
Literature-extracted synthesis procedures targeting La2CuO4.
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 copper oxide is used.
Superconductivity researchCatalysisSolid oxide fuel cell electrodesElectronic component development
Reference
Frequently Asked Questions
Common questions about Lanthanum copper oxide, answered from cross-validated data.
What is La2CuO4?
Lanthanum copper oxide is a ceramic material known for its layered crystal structure. It is widely studied in condensed matter physics as a parent compound for high-temperature superconductors.
More questions
What is La2CuO4 used for?
Lanthanum copper oxide (La2CuO4) is used in superconductivity research, catalysis, solid oxide fuel cell electrodes, and electronic component development.
What is the band gap of La2CuO4?
Lanthanum copper oxide (La2CuO4) has a DFT-computed band gap of 0.06 eV across 20 reported structures.
Is La2CuO4 a metal, semiconductor, or insulator?
With a near-zero band gap it behaves as a (semi)metal.
Is La2CuO4 thermodynamically stable?
Yes — Lanthanum copper oxide (La2CuO4) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of La2CuO4?
The lowest-energy reported polymorph of Lanthanum copper oxide (La2CuO4) is tetragonal symmetry, space group I4/mmm (No. 139).
What is the density of La2CuO4?
The computed density of the ground-state structure of Lanthanum copper oxide (La2CuO4) is 6.72 g/cm³.
How many polymorphs of La2CuO4 are known?
20 structures of La2CuO4 are reported across 3 databases, spanning 4 distinct space groups.
How is La2CuO4 synthesized?
Literature-reported routes for La2CuO4 include sol-gel (8 procedures documented).
What elements does La2CuO4 contain?
Lanthanum copper oxide (La2CuO4) contains Cu, La, and O (3 elements).
Where does the data for La2CuO4 come from?
La2CuO4 data is cross-referenced from materials_project, mpaloe, jarvis.
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Related Compounds
Other Spinel Oxide Catalysts in the database.
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).
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