Li2Mn3SbO8
Li2Mn3SbO8 is a stable, semiconducting layered oxide containing lithium, manganese, antimony, and oxygen.
About Li2Mn3SbO8
Li2Mn3SbO8 is a complex layered lithium transition-metal oxide that occupies a stable position on the convex hull. As a semiconducting material, it represents a specialized configuration of lithium, manganese, antimony, and oxygen atoms that is structurally robust and well-documented across multiple databases.
Its significance lies in its structural complexity and the role it plays in the broader family of lithium-based oxides used for electrochemical energy storage. By incorporating antimony into the manganese-lithium oxide lattice, this compound offers a distinct chemical environment compared to simpler binary or ternary oxides.
Key Properties
Cross-validated computational properties for Li2Mn3SbO8, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of Li2Mn3SbO8. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
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 | 0.95 | 0.0154 | -7.455 | 4.43 |
| R-3m (No. 166) | trigonal | 0.66 | 0.0271 | -7.443 | 4.43 |
| P4332 (No. 212) | cubic | 0.74 | 0.0342 | -7.436 | 4.40 |
| P31c (No. 159) | trigonal | 0.44 | 0.0828 | -1.872 | — |
| P-1 (No. 2) | triclinic | 0.24 | 0.0909 | -7.380 | 4.33 |
| C2/m (No. 12) | monoclinic | 0.00 | 0.0918 | -1.863 | — |
| C2/m (No. 12) | monoclinic | 0.00 | 0.0922 | -1.862 | — |
| P-1 (No. 2) | triclinic | 0.00 | 0.1912 | -1.763 | — |
| P-1 (No. 2) | triclinic | — | — | — | 4.62 |
Applications
Where Li2Mn3SbO8 is used.
Frequently Asked Questions
Common questions about Li2Mn3SbO8, answered from cross-validated data.
What is Li2Mn3SbO8?
Li2Mn3SbO8 is a stable, semiconducting layered oxide containing lithium, manganese, antimony, and oxygen.
What is Li2Mn3SbO8 used for?
What is the band gap of Li2Mn3SbO8?
Is Li2Mn3SbO8 a metal, semiconductor, or insulator?
Is Li2Mn3SbO8 thermodynamically stable?
What is the crystal structure of Li2Mn3SbO8?
What is the density of Li2Mn3SbO8?
How many polymorphs of Li2Mn3SbO8 are known?
What elements does Li2Mn3SbO8 contain?
Where does the data for Li2Mn3SbO8 come from?
How It Compares
Within the layered lithium transition-metal oxides class.
Within the diverse family of layered lithium transition-metal oxides, Li2Mn3SbO8 distinguishes itself from more common cathode materials like LiCoO2 and LiMn2O4 through its unique quaternary composition. While siblings such as Li2MnO3 and Li5Mn3O8 focus on manganese-rich frameworks, the inclusion of antimony in Li2Mn3SbO8 provides a different electronic and structural profile, positioning it as a specialized candidate for exploring new intercalation chemistries.
Related Compounds
Other Layered Lithium Transition-Metal Oxides in the database.
Data sources & attribution
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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