Ca24Li12Mo8N32O6

Ca24Li12Mo8N32O6 is a metastable, semiconducting multinary compound composed of calcium, lithium, molybdenum, nitrogen, and oxygen.

CaLiMoNO
Crystal structure of Ca24Li12Mo8N32O6
Ground-state structure · Materials Project
Overview

About Ca24Li12Mo8N32O6

Ca24Li12Mo8N32O6 is a complex inorganic compound featuring a unique arrangement of calcium, lithium, molybdenum, nitrogen, and oxygen. As a semiconducting material, it offers interesting electronic properties that distinguish it from simpler binary oxides or nitrides, making it a subject of interest for advanced materials research.

Although it is classified as a metastable phase, its existence across multiple structural databases highlights its significance in the study of complex multinary systems. Its specific composition allows for intricate bonding environments that are essential for exploring new functional materials with tailored electronic responses.

At a glance

Key Properties

Cross-validated computational properties for Ca24Li12Mo8N32O6, aggregated across 3 databases.

Band Gap

2.58 eV
Range across DFT structures

Energy Above Hull

0.059 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

3
3 databases, 1 space group
Uses

Applications

Where Ca24Li12Mo8N32O6 is used.

Materials science researchSolid-state electronic component development
Reference

Frequently Asked Questions

Common questions about Ca24Li12Mo8N32O6, answered from cross-validated data.

What is Ca24Li12Mo8N32O6?

Ca24Li12Mo8N32O6 is a metastable, semiconducting multinary compound composed of calcium, lithium, molybdenum, nitrogen, and oxygen.

More questions
What is Ca24Li12Mo8N32O6 used for?
Ca24Li12Mo8N32O6 is used in materials science research and solid-state electronic component development.
What is the band gap of Ca24Li12Mo8N32O6?
Ca24Li12Mo8N32O6 has a DFT-computed band gap of 2.58 eV across 3 reported structures.
Is Ca24Li12Mo8N32O6 a metal, semiconductor, or insulator?
With a band gap up to 2.58 eV it is a semiconductor.
Is Ca24Li12Mo8N32O6 thermodynamically stable?
Ca24Li12Mo8N32O6 has a lowest energy above hull of 0.059 eV/atom (metastable).
How many polymorphs of Ca24Li12Mo8N32O6 are known?
3 structures of Ca24Li12Mo8N32O6 are reported across 3 databases, spanning 1 distinct space group.
What elements does Ca24Li12Mo8N32O6 contain?
Ca24Li12Mo8N32O6 contains Ca, Li, Mo, N, and O (5 elements).
Where does the data for Ca24Li12Mo8N32O6 come from?
Ca24Li12Mo8N32O6 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a specialized multinary compound, Ca24Li12Mo8N32O6 represents a niche area of solid-state chemistry where the interplay of transition metals and light alkali elements creates complex structural motifs that are not typically found in standard ceramic materials.

Data sources & attribution
  • latticegraph — Lattice Graph Materials Intelligence Platform

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