Ba3LiTi3O8
Ba3LiTi3O8 is a semimetallic titanate oxide material investigated for its potential utility in high-performance electrochemical anode applications.
About Ba3LiTi3O8
Ba3LiTi3O8 is a complex oxide belonging to the titanate anode class. Its electronic character is defined as near-zero-gap, placing it in a semimetallic regime that distinguishes it from more traditional insulating titanates. The material exhibits a high degree of structural complexity, with numerous reported configurations across crystallographic databases.
Due to its thermodynamic position above the hull, this compound is considered meta-stable, which presents unique challenges and opportunities for synthesis and electrochemical performance. It is primarily investigated for its role in advanced battery architectures where specific electronic properties are required for efficient charge transport.
Key Properties
Cross-validated computational properties for Ba3LiTi3O8, aggregated across 2 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 Ba3LiTi3O8, 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 | 0.00 | 0.1298 | -7.781 | 5.34 |
| P1 (No. 1) | triclinic | 0.00 | 0.1393 | -7.771 | 4.88 |
| C2/m (No. 12) | monoclinic | 0.00 | 0.1416 | -7.769 | 5.36 |
| Cm (No. 8) | monoclinic | 0.00 | 0.1515 | -7.759 | 4.97 |
| P1 (No. 1) | triclinic | 0.02 | 0.1519 | -7.759 | 5.15 |
| Cm (No. 8) | monoclinic | 0.00 | 0.1713 | -7.739 | 5.04 |
| P1 (No. 1) | triclinic | 0.00 | 0.1847 | -7.726 | 5.08 |
| P-1 (No. 2) | triclinic | 0.00 | 0.1859 | -7.725 | 5.59 |
| C2/m (No. 12) | Monoclinic | — | — | — | 5.64 |
| P1 (No. 1) | Triclinic | — | — | — | 5.30 |
| P-1 (No. 2) | Triclinic | — | — | — | 5.74 |
| P1 (No. 1) | Triclinic | — | — | — | 5.10 |
Applications
Where Ba3LiTi3O8 is used.
Frequently Asked Questions
Common questions about Ba3LiTi3O8, answered from cross-validated data.
What is Ba3LiTi3O8?
Ba3LiTi3O8 is a semimetallic titanate oxide material investigated for its potential utility in high-performance electrochemical anode applications.
What is Ba3LiTi3O8 used for?
What is the band gap of Ba3LiTi3O8?
Is Ba3LiTi3O8 a metal, semiconductor, or insulator?
Is Ba3LiTi3O8 thermodynamically stable?
What is the crystal structure of Ba3LiTi3O8?
What is the density of Ba3LiTi3O8?
How many polymorphs of Ba3LiTi3O8 are known?
What elements does Ba3LiTi3O8 contain?
Where does the data for Ba3LiTi3O8 come from?
How It Compares
Within the titanate anodes class.
Compared to more common titanate anodes like Li2TiO3 or Li2Ti3O7, which are typically wide-gap insulators, Ba3LiTi3O8 stands out due to its semimetallic electronic nature. While siblings like Li2TiVO4 are frequently optimized for lithium-ion intercalation, this barium-containing variant offers a distinct structural framework that deviates from the standard alkali-metal titanate motifs found in the rest of the class.
Related Compounds
Other Titanate Anodes in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
Analyze Ba3LiTi3O8 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →