Li12O24Se6
This inorganic compound is a complex lithium selenite material often studied for its structural properties in solid-state chemistry. It is primarily utilized in academic research to explore ionic conductivity and potential applications in advanced battery technologies.
Key Properties
Cross-validated computational properties for Li12O24Se6, 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 Li12O24Se6, 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. |
|---|---|---|---|---|---|
| R-3 (No. 148) | trigonal | 3.91 | 0.0000 | -5.723 | 3.00 |
| R-3 (No. 148) | trigonal | 3.58 | 0.0862 | -5.637 | 2.63 |
| P1 (No. 1) | triclinic | 1.25 | 0.4303 | -5.293 | 2.53 |
| P1 (No. 1) | triclinic | 0.00 | 0.4629 | -5.260 | 2.34 |
| P-1 (No. 2) | triclinic | 0.51 | 0.5099 | -5.213 | 2.51 |
| P1 (No. 1) | triclinic | 0.01 | 0.5146 | -5.209 | 2.29 |
| — | — | — | — | — | 2.37 |
| — | — | — | — | — | 2.65 |
| — | — | — | — | — | 2.65 |
| — | — | — | — | — | 2.65 |
| R-3 (No. 148) | — | — | — | — | — |
| R-3 (No. 148) | — | — | — | — | — |
Applications
Where Li12O24Se6 is used.
Frequently Asked Questions
Common questions about Li12O24Se6, answered from cross-validated data.
What is Li12O24Se6?
This inorganic compound is a complex lithium selenite material often studied for its structural properties in solid-state chemistry. It is primarily utilized in academic research to explore ionic conductivity and potential applications in advanced battery technologies.
What is Li12O24Se6 used for?
What is the band gap of Li12O24Se6?
Is Li12O24Se6 a metal, semiconductor, or insulator?
Is Li12O24Se6 thermodynamically stable?
What is the crystal structure of Li12O24Se6?
What is the density of Li12O24Se6?
How many polymorphs of Li12O24Se6 are known?
What elements does Li12O24Se6 contain?
Where does the data for Li12O24Se6 come from?
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).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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