Li2Cr3SbO8
Li2Cr3SbO8 is a thermodynamically stable, semiconducting oxide composed of lithium, chromium, antimony, and oxygen.
About Li2Cr3SbO8
Li2Cr3SbO8 is a complex oxide featuring lithium, chromium, and antimony. As a thermodynamically stable compound residing on the convex hull, it exhibits robust structural integrity, making it a reliable subject for fundamental materials research. Its electronic character is defined as semiconducting, which suggests interesting potential for charge transport applications. The material is notable for its structural diversity, supported by multiple reported crystalline arrangements across major databases. This versatility allows researchers to investigate how different atomic configurations influence its semiconducting behavior and stability. As a stable oxide, it serves as a valuable model system for understanding the interplay between transition metals and main-group elements within a lattice.
Key Properties
Cross-validated computational properties for Li2Cr3SbO8, 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 Li2Cr3SbO8, 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. |
|---|---|---|---|---|---|
| P4332 (No. 212) | cubic | 2.91 | 0.0000 | -7.790 | 4.47 |
| R-3m (No. 166) | trigonal | 1.97 | 0.0043 | -7.785 | 4.47 |
| P63mc (No. 186) | hexagonal | 1.93 | 0.0075 | -7.782 | 4.69 |
| R-3m (No. 166) | Trigonal | — | — | — | 4.47 |
| R-3m (No. 166) | Trigonal | — | — | — | 4.87 |
| R-3m (No. 166) | Trigonal | — | — | — | 4.65 |
| P63mc (No. 186) | — | — | — | — | — |
| P63mc (No. 186) | — | — | — | — | — |
| P63mc (No. 186) | Hexagonal | — | — | — | 4.69 |
| P63mc (No. 186) | Hexagonal | — | — | — | 5.12 |
| P63mc (No. 186) | Hexagonal | — | — | — | 4.89 |
Applications
Where Li2Cr3SbO8 is used.
Frequently Asked Questions
Common questions about Li2Cr3SbO8, answered from cross-validated data.
What is Li2Cr3SbO8?
Li2Cr3SbO8 is a thermodynamically stable, semiconducting oxide composed of lithium, chromium, antimony, and oxygen.
What is Li2Cr3SbO8 used for?
What is the band gap of Li2Cr3SbO8?
Is Li2Cr3SbO8 a metal, semiconductor, or insulator?
Is Li2Cr3SbO8 thermodynamically stable?
What is the crystal structure of Li2Cr3SbO8?
What is the density of Li2Cr3SbO8?
How many polymorphs of Li2Cr3SbO8 are known?
What elements does Li2Cr3SbO8 contain?
Where does the data for Li2Cr3SbO8 come from?
How It Compares
As a unique oxide compound, Li2Cr3SbO8 occupies a distinct position in materials science research. While many complex oxides are metastable, this compound is thermodynamically stable, providing a reliable platform for studying the electronic properties of chromium-antimony-based systems without the complications of phase decomposition.
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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