LiSbO3

Lithium antimonate · Lithium metaantimonate

Lithium antimonate is an inorganic crystalline compound composed of lithium, antimony, and oxygen. It is primarily studied for its potential roles in advanced electronic and electrochemical devices due to its specific structural properties.

Crystal structure of LiSbO3 (orthorhombic, Pnna (No. 52))
Ground-state structure · Materials Project
Overview

Key Properties

Cross-validated computational properties for Lithium antimonate, aggregated across 3 databases.

Band Gap

1.45–2.95 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

19
3 databases, 4 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for LiSbO3, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
Pnna (No. 52)orthorhombic2.140.0000-6.2955.45
C2/m (No. 12)monoclinic2.830.0162-6.2785.09
C2/m (No. 12)monoclinic2.950.0586-6.2365.02
P213 (No. 198)cubic1.450.0888-6.2065.38
C2/m (No. 12)Monoclinic5.00
P213 (No. 198)Cubic5.38
C2/m (No. 12)Monoclinic5.22
C2/m (No. 12)Monoclinic4.83
Pm-3m (No. 221)
C2/m (No. 12)Monoclinic4.90
Pnna (No. 52)Orthorhombic5.37
Pnna (No. 52)Orthorhombic5.60
Synthesis

Synthesis Routes

Literature-extracted synthesis procedures targeting LiSbO3.

Sol-Gel
Procedure available · ceder_solid_state
Uses

Applications

Where Lithium antimonate is used.

Solid-state electrolyte researchCeramic material developmentIonic conductivity studies
Reference

Frequently Asked Questions

Common questions about Lithium antimonate, answered from cross-validated data.

What is LiSbO3?

Lithium antimonate is an inorganic crystalline compound composed of lithium, antimony, and oxygen. It is primarily studied for its potential roles in advanced electronic and electrochemical devices due to its specific structural properties.

More questions
What is LiSbO3 used for?
Lithium antimonate (LiSbO3) is used in solid-state electrolyte research, ceramic material development, and ionic conductivity studies.
What is the band gap of LiSbO3?
Lithium antimonate (LiSbO3) has a DFT-computed band gap of 1.45–2.95 eV across 19 reported structures.
Is LiSbO3 a metal, semiconductor, or insulator?
With a band gap up to 2.95 eV it is a semiconductor.
Is LiSbO3 thermodynamically stable?
Yes — Lithium antimonate (LiSbO3) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of LiSbO3?
The lowest-energy reported polymorph of Lithium antimonate (LiSbO3) is orthorhombic symmetry, space group Pnna (No. 52).
What is the density of LiSbO3?
The computed density of the ground-state structure of Lithium antimonate (LiSbO3) is 5.45 g/cm³.
How many polymorphs of LiSbO3 are known?
19 structures of LiSbO3 are reported across 3 databases, spanning 4 distinct space groups.
How is LiSbO3 synthesized?
Literature-reported routes for LiSbO3 include sol-gel.
What elements does LiSbO3 contain?
Lithium antimonate (LiSbO3) contains Li, O, and Sb (3 elements).
Where does the data for LiSbO3 come from?
LiSbO3 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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