LiNbCrO4
LiNbCrO4 is a metastable, semiconducting quaternary oxide composed of lithium, niobium, chromium, and oxygen.
About LiNbCrO4
LiNbCrO4 is a complex quaternary oxide characterized by its semiconducting electronic nature. As a metastable phase, it represents a unique structural arrangement of lithium, niobium, chromium, and oxygen atoms that requires specific synthesis conditions to stabilize.
This compound is of significant interest in materials science due to its structural complexity and the interplay between its constituent transition metals. Its role as a metastable semiconductor makes it a candidate for fundamental research into oxide-based electronic materials and potential functional device applications.
Key Properties
Cross-validated computational properties for LiNbCrO4, 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 LiNbCrO4, 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 | 1.16 | 0.0699 | -8.501 | 4.26 |
| Imma (No. 74) | orthorhombic | 0.00 | 0.0811 | -8.489 | 4.45 |
| P4322 (No. 95) | — | — | — | — | — |
| Imma (No. 74) | Orthorhombic | — | — | — | 4.45 |
| Imma (No. 74) | Orthorhombic | — | — | — | 4.61 |
| P4322 (No. 95) | Tetragonal | — | — | — | 4.49 |
| Imma (No. 74) | Orthorhombic | — | — | — | 4.74 |
| P4322 (No. 95) | Tetragonal | — | — | — | 4.26 |
| P4322 (No. 95) | Tetragonal | — | — | — | 4.50 |
| P4322 (No. 95) | — | — | — | — | — |
Applications
Where LiNbCrO4 is used.
Frequently Asked Questions
Common questions about LiNbCrO4, answered from cross-validated data.
What is LiNbCrO4?
LiNbCrO4 is a metastable, semiconducting quaternary oxide composed of lithium, niobium, chromium, and oxygen.
What is LiNbCrO4 used for?
What is the band gap of LiNbCrO4?
Is LiNbCrO4 a metal, semiconductor, or insulator?
Is LiNbCrO4 thermodynamically stable?
What is the crystal structure of LiNbCrO4?
What is the density of LiNbCrO4?
How many polymorphs of LiNbCrO4 are known?
What elements does LiNbCrO4 contain?
Where does the data for LiNbCrO4 come from?
How It Compares
As a unique quaternary oxide, LiNbCrO4 occupies a specialized niche in materials research. Without direct structural analogs in its immediate class, it serves as an important case study for understanding how the integration of multiple transition metals influences the stability and electronic behavior of complex oxide lattices.
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.
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