LiNbCuO4
LiNbCuO4 is a semiconducting quaternary oxide containing lithium, niobium, copper, and oxygen that is currently studied for its structural complexity.
About LiNbCuO4
LiNbCuO4 is a complex quaternary oxide composed of lithium, niobium, copper, and oxygen. As a semiconducting material, it represents a unique combination of transition metals and alkali elements that invites investigation into its electronic behavior and potential structural arrangements. The material has been documented across multiple databases, highlighting its role as a subject of interest in solid-state synthesis research. Due to its position relative to the thermodynamic ground state, it is generally considered to be an unstable phase under standard conditions. This metastability often makes it a challenging target for experimental synthesis, yet it remains a significant data point for understanding the phase space of complex lithium-based oxides.
Key Properties
Cross-validated computational properties for LiNbCuO4, 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 LiNbCuO4, 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. |
|---|---|---|---|---|---|
| P4322 (No. 95) | tetragonal | 0.25 | 0.1001 | -7.369 | 4.60 |
| P4322 (No. 95) | tetragonal | 0.00 | 0.1117 | -7.358 | 4.74 |
| P4322 (No. 95) | Tetragonal | — | — | — | 4.60 |
| P4322 (No. 95) | Tetragonal | — | — | — | 4.79 |
| P4322 (No. 95) | Tetragonal | — | — | — | 4.69 |
| P4322 (No. 95) | Tetragonal | — | — | — | 4.98 |
| P4322 (No. 95) | — | — | — | — | — |
| P4322 (No. 95) | Tetragonal | — | — | — | 4.74 |
| P4322 (No. 95) | Tetragonal | — | — | — | 4.85 |
Frequently Asked Questions
Common questions about LiNbCuO4, answered from cross-validated data.
What is LiNbCuO4?
LiNbCuO4 is a semiconducting quaternary oxide containing lithium, niobium, copper, and oxygen that is currently studied for its structural complexity.
What is the band gap of LiNbCuO4?
Is LiNbCuO4 a metal, semiconductor, or insulator?
Is LiNbCuO4 thermodynamically stable?
What is the crystal structure of LiNbCuO4?
What is the density of LiNbCuO4?
How many polymorphs of LiNbCuO4 are known?
What elements does LiNbCuO4 contain?
Where does the data for LiNbCuO4 come from?
How It Compares
As a quaternary oxide without direct structural analogs in this specific grouping, LiNbCuO4 serves as a distinct example of how multi-element combinations can lead to complex, albeit thermodynamically challenging, material architectures.
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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