LiCrSnO4
LiCrSnO4 is a thermodynamically stable semiconducting quaternary oxide composed of lithium, chromium, tin, and oxygen.
About LiCrSnO4
LiCrSnO4 is a complex quaternary oxide that sits on the convex hull, indicating significant thermodynamic stability. Its electronic character as a semiconductor makes it an intriguing candidate for specialized functional material applications where stable, tunable electronic properties are required.
With multiple reported structures documented across various databases, this compound demonstrates a versatile structural landscape. Its composition of lithium, chromium, tin, and oxygen allows for unique lattice arrangements that are essential for exploring new pathways in solid-state chemistry and materials design.
Key Properties
Cross-validated computational properties for LiCrSnO4, 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 LiCrSnO4, 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. |
|---|---|---|---|---|---|
| Imma (No. 74) | orthorhombic | 2.85 | 0.0000 | -7.332 | 5.09 |
| P4322 (No. 95) | tetragonal | 1.59 | 0.0876 | -7.244 | 5.05 |
| P4322 (No. 95) | — | — | — | — | — |
| Imma (No. 74) | — | — | — | — | — |
| P4322 (No. 95) | Tetragonal | — | — | — | 5.45 |
| Imma (No. 74) | Orthorhombic | — | — | — | 4.86 |
| P4322 (No. 95) | Tetragonal | — | — | — | 5.05 |
| P4322 (No. 95) | Tetragonal | — | — | — | 5.27 |
| Imma (No. 74) | Orthorhombic | — | — | — | 5.25 |
| Imma (No. 74) | Orthorhombic | — | — | — | 5.04 |
Applications
Where LiCrSnO4 is used.
Frequently Asked Questions
Common questions about LiCrSnO4, answered from cross-validated data.
What is LiCrSnO4?
LiCrSnO4 is a thermodynamically stable semiconducting quaternary oxide composed of lithium, chromium, tin, and oxygen.
What is LiCrSnO4 used for?
What is the band gap of LiCrSnO4?
Is LiCrSnO4 a metal, semiconductor, or insulator?
Is LiCrSnO4 thermodynamically stable?
What is the crystal structure of LiCrSnO4?
What is the density of LiCrSnO4?
How many polymorphs of LiCrSnO4 are known?
What elements does LiCrSnO4 contain?
Where does the data for LiCrSnO4 come from?
How It Compares
As a distinct quaternary oxide, LiCrSnO4 represents a stable structural configuration within the broader landscape of lithium-based transition metal oxides. It serves as a foundational example of how combining these specific elements can result in a thermodynamically robust semiconductor, providing a benchmark for future exploration of similar multi-component systems.
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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