Li2Ni2SnO6

This complex oxide is a layered material studied primarily for its electrochemical properties. It is investigated as a potential electrode component in advanced energy storage systems due to its structural stability during ion transport.

Crystal structure of Li2Ni2SnO6 (orthorhombic, Cmce (No. 64))
Ground-state structure · Materials Project
Overview

Key Properties

Cross-validated computational properties for Li2Ni2SnO6, aggregated across 3 databases.

Band Gap

0.55–0.63 eV
Range across DFT structures

Energy Above Hull

0.036 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

7
3 databases, 2 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for Li2Ni2SnO6, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
Cmce (No. 64)orthorhombic0.630.0356-6.0904.84
P-1 (No. 2)triclinic0.550.0640-6.0625.03
Cmce (No. 64)Orthorhombic4.84
Cmce (No. 64)Orthorhombic5.16
Cmce (No. 64)Orthorhombic5.00
Cmce (No. 64)
Cmce (No. 64)
Uses

Applications

Where Li2Ni2SnO6 is used.

Lithium-ion battery researchElectrochemical energy storage development
Reference

Frequently Asked Questions

Common questions about Li2Ni2SnO6, answered from cross-validated data.

What is Li2Ni2SnO6?

This complex oxide is a layered material studied primarily for its electrochemical properties. It is investigated as a potential electrode component in advanced energy storage systems due to its structural stability during ion transport.

More questions
What is Li2Ni2SnO6 used for?
Li2Ni2SnO6 is used in lithium-ion battery research and electrochemical energy storage development.
What is the band gap of Li2Ni2SnO6?
Li2Ni2SnO6 has a DFT-computed band gap of 0.55–0.63 eV across 7 reported structures.
Is Li2Ni2SnO6 a metal, semiconductor, or insulator?
With a band gap up to 0.63 eV it is a semiconductor.
Is Li2Ni2SnO6 thermodynamically stable?
Li2Ni2SnO6 has a lowest energy above hull of 0.036 eV/atom (metastable).
What is the crystal structure of Li2Ni2SnO6?
The lowest-energy reported polymorph of Li2Ni2SnO6 is orthorhombic symmetry, space group Cmce (No. 64).
What is the density of Li2Ni2SnO6?
The computed density of the ground-state structure of Li2Ni2SnO6 is 4.84 g/cm³.
How many polymorphs of Li2Ni2SnO6 are known?
7 structures of Li2Ni2SnO6 are reported across 3 databases, spanning 2 distinct space groups.
What elements does Li2Ni2SnO6 contain?
Li2Ni2SnO6 contains Li, Ni, O, and Sn (4 elements).
Where does the data for Li2Ni2SnO6 come from?
Li2Ni2SnO6 data is cross-referenced from materials_project, mpaloe, jarvis.
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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).
  • mpaloe — Data from mpaloe.
  • jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).

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