Li3Zn2SbO6
This compound is a complex oxide containing lithium, zinc, and antimony. It is primarily studied by researchers investigating advanced materials for potential use in electrochemical energy storage systems.
LiOSbZn
Overview
Key Properties
Cross-validated computational properties for Li3Zn2SbO6, 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.
2.46 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.
0.023 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)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
5
3 databases, 1 space group
Crystallography
Reported Structures
Lowest-energy structures reported for Li3Zn2SbO6, 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/m (No. 12) | monoclinic | 2.46 | 0.0226 | -5.555 | 5.09 |
| C2/m (No. 12) | Monoclinic | — | — | — | 5.09 |
| C2/m (No. 12) | Monoclinic | — | — | — | 5.42 |
| C2/m (No. 12) | Monoclinic | — | — | — | 5.27 |
| C2/m (No. 12) | — | — | — | — | — |
Uses
Applications
Where Li3Zn2SbO6 is used.
Battery material researchSolid-state ion conductor studies
Reference
Frequently Asked Questions
Common questions about Li3Zn2SbO6, answered from cross-validated data.
What is Li3Zn2SbO6?
This compound is a complex oxide containing lithium, zinc, and antimony. It is primarily studied by researchers investigating advanced materials for potential use in electrochemical energy storage systems.
More questions
What is Li3Zn2SbO6 used for?
Li3Zn2SbO6 is used in battery material research and solid-state ion conductor studies.
What is the band gap of Li3Zn2SbO6?
Li3Zn2SbO6 has a DFT-computed band gap of 2.46 eV across 5 reported structures.
Is Li3Zn2SbO6 a metal, semiconductor, or insulator?
With a band gap up to 2.46 eV it is a semiconductor.
Is Li3Zn2SbO6 thermodynamically stable?
Li3Zn2SbO6 has a lowest energy above hull of 0.023 eV/atom (near hull (likely stable)).
What is the crystal structure of Li3Zn2SbO6?
The lowest-energy reported polymorph of Li3Zn2SbO6 is monoclinic symmetry, space group C2/m (No. 12).
What is the density of Li3Zn2SbO6?
The computed density of the ground-state structure of Li3Zn2SbO6 is 5.09 g/cm³.
How many polymorphs of Li3Zn2SbO6 are known?
5 structures of Li3Zn2SbO6 are reported across 3 databases, spanning 1 distinct space group.
What elements does Li3Zn2SbO6 contain?
Li3Zn2SbO6 contains Li, O, Sb, and Zn (4 elements).
Where does the data for Li3Zn2SbO6 come from?
Li3Zn2SbO6 data is cross-referenced from materials_project, mpaloe, jarvis.
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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