Li2Mn3SbO8
This complex oxide is a crystalline material studied primarily for its electrochemical properties. It is investigated as a potential electrode material in advanced energy storage systems due to its structural characteristics.
Overview
Key Properties
Cross-validated computational properties for Li2Mn3SbO8, 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.
0.18–1.18 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.
23
3 databases, 6 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Li2Mn3SbO8, 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. |
|---|---|---|---|---|---|
| P31c (No. 159) | trigonal | 1.09 | 0.0000 | -7.471 | 4.61 |
| P21/c (No. 14) | monoclinic | 1.18 | 0.0133 | -7.457 | 4.43 |
| P-1 (No. 2) | triclinic | 0.89 | 0.0148 | -7.456 | 4.43 |
| C2/m (No. 12) | monoclinic | 0.75 | 0.0154 | -7.455 | 4.43 |
| R-3m (No. 166) | trigonal | 0.30 | 0.0271 | -7.443 | 4.43 |
| P4332 (No. 212) | cubic | 0.74 | 0.0342 | -7.436 | 4.40 |
| P-1 (No. 2) | triclinic | 0.18 | 0.0909 | -7.380 | 4.33 |
| C2/m (No. 12) | — | — | — | — | — |
| P-1 (No. 2) | Triclinic | — | — | — | 4.62 |
| C2/m (No. 12) | — | — | — | — | — |
| P31c (No. 159) | — | — | — | — | — |
| P21/c (No. 14) | Monoclinic | — | — | — | 4.79 |
Uses
Applications
Where Li2Mn3SbO8 is used.
Battery researchSolid-state ionicsMaterials science exploration
Reference
Frequently Asked Questions
Common questions about Li2Mn3SbO8, answered from cross-validated data.
What is Li2Mn3SbO8?
This complex oxide is a crystalline material studied primarily for its electrochemical properties. It is investigated as a potential electrode material in advanced energy storage systems due to its structural characteristics.
More questions
What is Li2Mn3SbO8 used for?
Li2Mn3SbO8 is used in battery research, solid-state ionics, and materials science exploration.
What is the band gap of Li2Mn3SbO8?
Li2Mn3SbO8 has a DFT-computed band gap of 0.18–1.18 eV across 23 reported structures.
Is Li2Mn3SbO8 a metal, semiconductor, or insulator?
With a band gap up to 1.18 eV it is a semiconductor.
Is Li2Mn3SbO8 thermodynamically stable?
Yes — Li2Mn3SbO8 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Li2Mn3SbO8?
The lowest-energy reported polymorph of Li2Mn3SbO8 is trigonal symmetry, space group P31c (No. 159).
What is the density of Li2Mn3SbO8?
The computed density of the ground-state structure of Li2Mn3SbO8 is 4.61 g/cm³.
How many polymorphs of Li2Mn3SbO8 are known?
23 structures of Li2Mn3SbO8 are reported across 3 databases, spanning 6 distinct space groups.
What elements does Li2Mn3SbO8 contain?
Li2Mn3SbO8 contains Li, Mn, O, and Sb (4 elements).
Where does the data for Li2Mn3SbO8 come from?
Li2Mn3SbO8 data is cross-referenced from materials_project, jarvis, mpaloe.
Explore
Related Compounds
Other Layered Lithium Transition-Metal 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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