LiSi2BiO6
LiSi2BiO6 is a metastable, wide-band-gap insulating oxide composed of bismuth, lithium, silicon, and oxygen.
About LiSi2BiO6
LiSi2BiO6 is a complex quaternary oxide characterized by its wide-band-gap insulating electronic profile. This material is recognized as a metastable phase, reflecting the intricate structural chemistry inherent in systems combining heavy bismuth cations with lithium and silicate frameworks. Its existence is supported by multiple reported structural configurations across materials databases, marking it as a subject of interest for researchers investigating the stability and synthesis of complex oxides. The interplay between its constituent elements suggests potential for specialized dielectric or optical applications.
Key Properties
Cross-validated computational properties for LiSi2BiO6, 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 LiSi2BiO6, 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. |
|---|---|---|---|---|---|
| C2/c (No. 15) | monoclinic | 3.74 | 0.0381 | -7.369 | 5.08 |
| C2/c (No. 15) | monoclinic | 3.36 | 0.0585 | -7.348 | 4.66 |
| C2/c (No. 15) | Monoclinic | — | — | — | 5.08 |
| C2/c (No. 15) | Monoclinic | — | — | — | 5.40 |
| C2/c (No. 15) | Monoclinic | — | — | — | 4.78 |
| C2/c (No. 15) | Monoclinic | — | — | — | 4.94 |
| C2/c (No. 15) | Monoclinic | — | — | — | 4.66 |
| C2/c (No. 15) | Monoclinic | — | — | — | 5.21 |
| C2/c (No. 15) | — | — | — | — | — |
Applications
Where LiSi2BiO6 is used.
Frequently Asked Questions
Common questions about LiSi2BiO6, answered from cross-validated data.
What is LiSi2BiO6?
LiSi2BiO6 is a metastable, wide-band-gap insulating oxide composed of bismuth, lithium, silicon, and oxygen.
What is LiSi2BiO6 used for?
What is the band gap of LiSi2BiO6?
Is LiSi2BiO6 a metal, semiconductor, or insulator?
Is LiSi2BiO6 thermodynamically stable?
What is the crystal structure of LiSi2BiO6?
What is the density of LiSi2BiO6?
How many polymorphs of LiSi2BiO6 are known?
What elements does LiSi2BiO6 contain?
Where does the data for LiSi2BiO6 come from?
How It Compares
As a unique quaternary oxide, LiSi2BiO6 represents a specialized niche in materials science where the combination of bismuth and silicate networks creates distinct structural challenges. Unlike more common binary or ternary oxides, this compound occupies a metastable state that highlights the complexity of balancing heavy metal cations within an insulating lattice.
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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