LiO8
This compound is a lithium polyoxide species that exists under extreme conditions. It is primarily studied in the context of high-pressure chemistry and fundamental materials science research.
Overview
Key Properties
Cross-validated computational properties for LiO8, 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.
0.09–0.27 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.
0.000 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.
On hull (stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
29
3 databases, 4 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for LiO8, 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 | 0.0000 | -5.037 | 2.18 |
| C2 (No. 5) | monoclinic | 0.00 | 0.0054 | -5.032 | 2.23 |
| C2/m (No. 12) | monoclinic | 0.00 | 0.0092 | -5.028 | 2.00 |
| P1 (No. 1) | triclinic | 0.09 | 0.0157 | -5.022 | 1.90 |
| P1 (No. 1) | triclinic | 0.15 | 0.0168 | -5.021 | 1.99 |
| Cm (No. 8) | monoclinic | 0.00 | 0.0677 | -4.970 | 1.82 |
| C2/m (No. 12) | monoclinic | 0.27 | 0.0701 | -4.967 | 1.78 |
| Cm (No. 8) | monoclinic | 0.11 | 0.0763 | -5.849 | 2.12 |
| C2/m (No. 12) | Monoclinic | — | — | — | 1.78 |
| P1 (No. 1) | Triclinic | — | — | — | 1.93 |
| P1 (No. 1) | Triclinic | — | — | — | 1.90 |
| C2/m (No. 12) | Monoclinic | — | — | — | 1.78 |
Uses
Applications
Where LiO8 is used.
Fundamental high-pressure physics researchTheoretical studies of lithium-oxygen bonding
Reference
Frequently Asked Questions
Common questions about LiO8, answered from cross-validated data.
What is LiO8?
This compound is a lithium polyoxide species that exists under extreme conditions. It is primarily studied in the context of high-pressure chemistry and fundamental materials science research.
More questions
What is LiO8 used for?
LiO8 is used in fundamental high-pressure physics research and theoretical studies of lithium-oxygen bonding.
What is the band gap of LiO8?
LiO8 has a DFT-computed band gap of 0.09–0.27 eV across 29 reported structures.
Is LiO8 a metal, semiconductor, or insulator?
With a band gap up to 0.27 eV it is a semiconductor.
Is LiO8 thermodynamically stable?
Yes — LiO8 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of LiO8?
The lowest-energy reported polymorph of LiO8 is monoclinic symmetry, space group Cm (No. 8).
What is the density of LiO8?
The computed density of the ground-state structure of LiO8 is 2.18 g/cm³.
How many polymorphs of LiO8 are known?
29 structures of LiO8 are reported across 3 databases, spanning 4 distinct space groups.
What elements does LiO8 contain?
LiO8 contains Li and O (2 elements).
Where does the data for LiO8 come from?
LiO8 data is cross-referenced from materials_project, mpaloe, jarvis.
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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).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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