LiSiBi3O7
LiSiBi3O7 is a metastable, semiconducting quaternary oxide containing lithium, silicon, bismuth, and oxygen.
About LiSiBi3O7
LiSiBi3O7 is a complex oxide composed of lithium, silicon, bismuth, and oxygen. As a semiconducting material, it offers unique electronic properties that distinguish it from standard insulating oxides, making it a subject of interest for specialized solid-state research.
Because it exists in a metastable state, this compound represents a delicate balance of atomic arrangements. Its presence across multiple structural databases highlights its significance as a target for synthesis and characterization studies aiming to understand the behavior of bismuth-based quaternary systems.
Key Properties
Cross-validated computational properties for LiSiBi3O7, 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 LiSiBi3O7, 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. |
|---|---|---|---|---|---|
| P63 (No. 173) | hexagonal | 2.98 | 0.0416 | -6.598 | 7.71 |
| P63 (No. 173) | Hexagonal | — | — | — | 7.71 |
| P63 (No. 173) | Hexagonal | — | — | — | 8.20 |
| P63 (No. 173) | Hexagonal | — | — | — | 7.92 |
| P63 (No. 173) | — | — | — | — | — |
Applications
Where LiSiBi3O7 is used.
Frequently Asked Questions
Common questions about LiSiBi3O7, answered from cross-validated data.
What is LiSiBi3O7?
LiSiBi3O7 is a metastable, semiconducting quaternary oxide containing lithium, silicon, bismuth, and oxygen.
What is LiSiBi3O7 used for?
What is the band gap of LiSiBi3O7?
Is LiSiBi3O7 a metal, semiconductor, or insulator?
Is LiSiBi3O7 thermodynamically stable?
What is the crystal structure of LiSiBi3O7?
What is the density of LiSiBi3O7?
How many polymorphs of LiSiBi3O7 are known?
What elements does LiSiBi3O7 contain?
Where does the data for LiSiBi3O7 come from?
How It Compares
As a unique quaternary oxide, LiSiBi3O7 serves as a distinct entry in the landscape of bismuth-containing semiconductors. While many similar oxides are thermodynamically stable, the metastable nature of this compound provides a specific research niche for exploring phase transitions and structural evolution in complex oxide systems.
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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