CoLiNdO4Sr

CoLiNdO4Sr is a complex semiconducting layered lithium transition-metal oxide containing neodymium and strontium.

Crystal structure of CoLiNdO4Sr (monoclinic, Pm (No. 6))
Ground-state structure · Materials Project
Overview

About CoLiNdO4Sr

CoLiNdO4Sr is a complex quaternary oxide belonging to the class of layered lithium transition-metal oxides. Featuring a combination of cobalt, lithium, neodymium, and strontium, this material exhibits semiconducting electronic behavior and represents a structurally diverse entry within its chemical family.

While it is a subject of interest in materials research, current data indicates that the compound sits above the thermodynamic hull, suggesting it may be unstable under standard conditions. Its presence across multiple structural databases highlights its role in the ongoing exploration of multi-component oxide systems.

At a glance

Key Properties

Cross-validated computational properties for CoLiNdO4Sr, aggregated across 3 databases.

Band Gap

0.56–1.99 eV
Range across DFT structures

Energy Above Hull

0.103 eV/atom
Best (lowest) across sources

Stability

Above hull
2 DFT sources

Structures

8
3 databases, 4 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for CoLiNdO4Sr, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
Pm (No. 6)monoclinic1.120.1033-6.9715.59
Pmm2 (No. 25)orthorhombic0.560.1152-6.9595.58
Pm (No. 6)monoclinic1.620.1381-6.9375.26
P1 (No. 1)triclinic1.990.1582-6.9165.07
Cm (No. 8)monoclinic0.000.2721-6.8024.77
5.21
P1 (No. 1)
5.24
Reference

Frequently Asked Questions

Common questions about CoLiNdO4Sr, answered from cross-validated data.

What is CoLiNdO4Sr?

CoLiNdO4Sr is a complex semiconducting layered lithium transition-metal oxide containing neodymium and strontium.

More questions
What is the band gap of CoLiNdO4Sr?
CoLiNdO4Sr has a DFT-computed band gap of 0.56–1.99 eV across 8 reported structures.
Is CoLiNdO4Sr a metal, semiconductor, or insulator?
With a band gap up to 1.99 eV it is a semiconductor.
Is CoLiNdO4Sr thermodynamically stable?
CoLiNdO4Sr has a lowest energy above hull of 0.103 eV/atom (above hull).
What is the crystal structure of CoLiNdO4Sr?
The lowest-energy reported polymorph of CoLiNdO4Sr is monoclinic symmetry, space group Pm (No. 6).
What is the density of CoLiNdO4Sr?
The computed density of the ground-state structure of CoLiNdO4Sr is 5.59 g/cm³.
How many polymorphs of CoLiNdO4Sr are known?
8 structures of CoLiNdO4Sr are reported across 3 databases, spanning 4 distinct space groups.
What elements does CoLiNdO4Sr contain?
CoLiNdO4Sr contains Co, Li, Nd, O, and Sr (5 elements).
Where does the data for CoLiNdO4Sr come from?
CoLiNdO4Sr data is cross-referenced from materials_project, omat24, nomad.
Comparison

How It Compares

Within the layered lithium transition-metal oxides class.

Unlike the highly stable and commercially ubiquitous LiCoO2 or the spinel-structured LiMn2O4, CoLiNdO4Sr is a more exotic, multi-cation variant that lacks the widespread industrial adoption of its simpler counterparts.

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).
  • omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
  • nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).

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