Li2CrSi7O16
Li2CrSi7O16 is a metastable semiconducting lithium chromium silicate used primarily in materials research.
About Li2CrSi7O16
Li2CrSi7O16 is a complex lithium chromium silicate that exhibits semiconducting electronic behavior. As a metastable phase, it represents a unique structural configuration within the broader family of lithium-based silicates, requiring specific synthesis conditions to stabilize its crystalline framework.
This compound is of significant interest to materials scientists studying ion-conducting pathways and structural diversity in silicates. Its existence across multiple databases highlights its role as a subject of ongoing computational and experimental investigation into complex oxide systems.
Key Properties
Cross-validated computational properties for Li2CrSi7O16, 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 Li2CrSi7O16, 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. |
|---|---|---|---|---|---|
| P1 (No. 1) | triclinic | 2.21 | 0.0722 | -8.035 | 2.49 |
| P1 (No. 1) | triclinic | 0.00 | 7.2298 | -0.878 | 2.55 |
| P1 (No. 1) | Triclinic | — | — | — | 2.49 |
| P1 (No. 1) | Triclinic | — | — | — | 2.66 |
| P1 (No. 1) | Triclinic | — | — | — | 2.56 |
| P1 (No. 1) | — | — | — | — | — |
Applications
Where Li2CrSi7O16 is used.
Frequently Asked Questions
Common questions about Li2CrSi7O16, answered from cross-validated data.
What is Li2CrSi7O16?
Li2CrSi7O16 is a metastable semiconducting lithium chromium silicate used primarily in materials research.
What is Li2CrSi7O16 used for?
What is the band gap of Li2CrSi7O16?
Is Li2CrSi7O16 a metal, semiconductor, or insulator?
Is Li2CrSi7O16 thermodynamically stable?
What is the crystal structure of Li2CrSi7O16?
What is the density of Li2CrSi7O16?
How many polymorphs of Li2CrSi7O16 are known?
What elements does Li2CrSi7O16 contain?
Where does the data for Li2CrSi7O16 come from?
How It Compares
As a metastable semiconducting silicate, Li2CrSi7O16 occupies a specialized niche in materials science. Unlike more common, highly stable silicate minerals, this compound serves as a critical case study for understanding how transition metals like chromium can be incorporated into complex lithium-silicate lattices to tune electronic and structural properties.
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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