Li8O24Ti10
Li8O24Ti10 has a DFT band gap of 2.72–3.03 eV across 3 reported structures in 2 space groups; its lowest-energy polymorph is monoclinic (C2/c (No. 15)). Cross-validated across 2 computational databases.
At a glance
Key Properties
Cross-validated computational properties for Li8O24Ti10, 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.
2.72–3.03 eV
Range across DFT structures
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.
0.004 eV/atom
Best (lowest) across sources
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.
Near hull (likely stable)
1 DFT source
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
3
2 databases, 2 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Li8O24Ti10, 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 | 2.72 | 0.0043 | -8.274 | 3.50 |
| P-1 (No. 2) | triclinic | 3.03 | 0.0284 | -8.250 | 3.29 |
| — | — | — | — | — | 3.39 |
Reference
Frequently Asked Questions
Common questions about Li8O24Ti10, answered from cross-validated data.
What is the band gap of Li8O24Ti10?
Li8O24Ti10 has a DFT-computed band gap of 2.72–3.03 eV across 3 reported structures.
More questions
Is Li8O24Ti10 a metal, semiconductor, or insulator?
With a wide band gap up to 3.03 eV it is an insulator / wide-band-gap material.
Is Li8O24Ti10 thermodynamically stable?
Li8O24Ti10 has a lowest energy above hull of 0.004 eV/atom (near hull (likely stable)).
What is the crystal structure of Li8O24Ti10?
The lowest-energy reported polymorph of Li8O24Ti10 is monoclinic symmetry, space group C2/c (No. 15).
What is the density of Li8O24Ti10?
The computed density of the ground-state structure of Li8O24Ti10 is 3.50 g/cm³.
How many polymorphs of Li8O24Ti10 are known?
3 structures of Li8O24Ti10 are reported across 2 databases, spanning 2 distinct space groups.
What elements does Li8O24Ti10 contain?
Li8O24Ti10 contains Li, O, and Ti (3 elements).
Where does the data for Li8O24Ti10 come from?
Li8O24Ti10 data is cross-referenced from materials_project, omat24.
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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).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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