Li5BiO5
Li5BiO5 is a thermodynamically stable semiconducting lithium bismuth oxide used in materials science research.
About Li5BiO5
Li5BiO5 is a distinct member of the lithium oxide family, characterized by its semiconducting electronic nature. As a thermodynamically stable phase residing on the convex hull, it represents a well-defined structural arrangement within the bismuth-lithium-oxygen system. Its existence across multiple reported structures highlights its significance in fundamental materials research. This compound serves as an intriguing subject for investigating lithium-rich oxide frameworks. Its stability and semiconducting behavior make it a valuable candidate for researchers exploring new pathways in ion-conducting materials and solid-state chemistry.
Key Properties
Cross-validated computational properties for Li5BiO5, 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 Li5BiO5, 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. |
|---|---|---|---|---|---|
| Cm (No. 8) | monoclinic | 1.36 | 0.0000 | -5.419 | 4.41 |
| C2/m (No. 12) | monoclinic | 0.00 | 0.0020 | -10.925 | 4.63 |
| C2/m (No. 12) | — | — | — | — | — |
| Cm (No. 8) | Monoclinic | — | — | — | 4.41 |
| Cm (No. 8) | Monoclinic | — | — | — | 4.63 |
| Cm (No. 8) | Monoclinic | — | — | — | 4.58 |
| C2/m (No. 12) | — | — | — | — | — |
Applications
Where Li5BiO5 is used.
Frequently Asked Questions
Common questions about Li5BiO5, answered from cross-validated data.
What is Li5BiO5?
Li5BiO5 is a thermodynamically stable semiconducting lithium bismuth oxide used in materials science research.
What is Li5BiO5 used for?
What is the band gap of Li5BiO5?
Is Li5BiO5 a metal, semiconductor, or insulator?
Is Li5BiO5 thermodynamically stable?
What is the crystal structure of Li5BiO5?
What is the density of Li5BiO5?
How many polymorphs of Li5BiO5 are known?
What elements does Li5BiO5 contain?
Where does the data for Li5BiO5 come from?
How It Compares
Within the lithium oxides class.
Unlike the widely utilized cathode materials LiCoO2 and LiNiO2, which are primarily studied for their electrochemical intercalation properties in batteries, Li5BiO5 occupies a unique niche as a stable, bismuth-based oxide. While compounds like Li2O serve as simple binary references, Li5BiO5 offers a more complex ternary structural landscape that distinguishes it from the transition-metal-heavy oxides like LiMn2O4 or Li2MnO3.
Related Compounds
Other Lithium Oxides in the database.
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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