Li3Cr3SiO8
Li3Cr3SiO8 is a metastable, insulating lithium chromium silicate used primarily in fundamental materials research.
About Li3Cr3SiO8
Li3Cr3SiO8 is a complex quaternary oxide that functions as a wide-gap insulator. Its structural arrangement, involving lithium, chromium, silicon, and oxygen, places it within a specialized category of insulating materials that are of significant interest for fundamental solid-state research.
As a metastable compound, it represents a specific configuration of elements that requires precise synthesis conditions. The existence of multiple reported structural variations across databases highlights its complexity and the ongoing interest in mapping its potential configurations within the broader landscape of lithium-chromium silicates.
Key Properties
Cross-validated computational properties for Li3Cr3SiO8, 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 Li3Cr3SiO8, 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. |
|---|---|---|---|---|---|
| P2/m (No. 10) | monoclinic | 3.08 | 0.0512 | -7.846 | 3.86 |
| P2/m (No. 10) | — | — | — | — | — |
| P2/m (No. 10) | Monoclinic | — | — | — | 4.02 |
| P2/m (No. 10) | Monoclinic | — | — | — | 3.86 |
| P2/m (No. 10) | Monoclinic | — | — | — | 4.18 |
Applications
Where Li3Cr3SiO8 is used.
Frequently Asked Questions
Common questions about Li3Cr3SiO8, answered from cross-validated data.
What is Li3Cr3SiO8?
Li3Cr3SiO8 is a metastable, insulating lithium chromium silicate used primarily in fundamental materials research.
What is Li3Cr3SiO8 used for?
What is the band gap of Li3Cr3SiO8?
Is Li3Cr3SiO8 a metal, semiconductor, or insulator?
Is Li3Cr3SiO8 thermodynamically stable?
What is the crystal structure of Li3Cr3SiO8?
What is the density of Li3Cr3SiO8?
How many polymorphs of Li3Cr3SiO8 are known?
What elements does Li3Cr3SiO8 contain?
Where does the data for Li3Cr3SiO8 come from?
How It Compares
As a unique inorganic silicate, Li3Cr3SiO8 occupies a specialized niche in materials science. Unlike more common, highly stable silicate frameworks, its metastable nature and specific electronic character distinguish it as a subject for experimental investigation into non-equilibrium phase stability and structural diversity.
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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